2-Pivalamidoacetic acid

CAT: 0926-FP154890-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FP154890-01Size:25 mg

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CAS Number

23891-96-5

MDL Number

MFCD06385042

Smiles

CC (C) (C) C (=O) NCC (=O) O

Molecular Formula

C7H13NO3

Molecular Weight

159.18 g/mol

Controlled

Chemical Information

2-Pivalamidoacetic acid

CAS Number	23891-96-5
PubChem CID	2608784
IUPAC Name	2-(2,2-dimethylpropanoylamino)acetic acid
Molecular Formula	C7H13NO3
Molecular Weight	159.18
XLogP	0.5
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	169

SMILES

CC(C)(C)C(=O)NCC(=O)O

InChI

InChI=1S/C7H13NO3/c1-7(2,3)6(11)8-4-5(9)10/h4H2,1-3H3,(H,8,11)(H,9,10)

InChIKey

RTRUEBYROMJFNU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 23891-96-5

CID: 2608784

Formula: C7H13NO3

MW: 159.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	159.18
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	159.08954328
Monoisotopic Mass	159.08954328
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	169
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD29145-01	2,2-Dimethylsuccinic acid
YAA77294-01	2,2-Dicyclopropylacetic acid
EBA66290-01	2,2-Dimethyloctanoic acid
AHA28661-01	2,2-Difluorohexanoic acid
AAA81358-01	2,2-Diethylbutanoic acid
CAA87473-01	2,2-Dimethyldodecanoic acid
FD41702-01	2,2-Dimethylglutaric acid
AAA07599-01	2,2-Dichloropropanoic Acid
SGB15466-01	2,2-Diethyloctanoic acid
KDA21666-01	2,2-Dimethyltetradecanoic acid

Catalog	Name
463754	(R) -2-Phenyl-2-pivalamidoacetic Acid
TRC-P336320-50MG	(R)-2-Phenyl-2-pivalamidoacetic Acid
HY-W108600R	(R) -2-Phenyl-2-pivalamidoacetic acid (Standard)
OR1037262-01	(R) -2- (4-Hydroxyphenyl) -2-pivalamidoacetic acid (Amoxicillin Impurity)
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
M2952-60	2-Mercaptophenylacetic Acid (2-Mercaptobenzeneacetic Acid)
TRC-N345640-5G	2-Naphthoic Acid (2-Naphthalenecarboxylic Acid)
A0536-45	2-Acetylthioisobutyric Acid ((2-Acetylthio) -2-methylpropanoic Acid)
MBS6023740-01	2-Acetylthioisobutyric Acid ((2-Acetylthio)-2-methylpropanoic Acid)
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid