2-Morpholinobutanoic acid

CAT: 0127-OR1071825-02Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1071825-02Size:250 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

87439-09-6

MDL Number

MFCD09971250

Purity

95%

Smiles

CCC(N1CCOCC1)C(O)=O

Chemical Information

2-Morpholinobutanoic acid

CAS Number	87439-09-6
PubChem CID	13022017
IUPAC Name	2-morpholin-4-ylbutanoic acid
Molecular Formula	C8H15NO3
Molecular Weight	173.21
XLogP	-1.9
Topological Polar Surface Area	49.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	154

SMILES

CCC(C(=O)O)N1CCOCC1

InChI

InChI=1S/C8H15NO3/c1-2-7(8(10)11)9-3-5-12-6-4-9/h7H,2-6H2,1H3,(H,10,11)

InChIKey

WMDSBNWXSJDRMD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 87439-09-6

CID: 13022017

Formula: C8H15NO3

MW: 173.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	173.21
XLogP3	-1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	173.10519334
Monoisotopic Mass	173.10519334
Topological Polar Surface Area	49.8 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PC1007558-01	2- (2-Pyridyloxy) acetic acid;2,2,2-trifluoroacetic acid
OR1102080-01	2,2'-Sulfinyldiacetic acid
BUP18751	2,2-Dimethylsuccinic acid
OR1049228-01	2,2-Dimethoxypropanoic acid
PC9834-01	2,2-Difluoropropanoic acid
OR937096-01	2,2-Dimethylbutyric acid
OR64743	2,2-Dibromopropanoic acid
OR1072110-01	2,2-Dipropylpentanoic acid
OR1024889-01	2,2-Dichlorobenzilic Acid
OR1003778-01	2,2-Diethylbutanoic acid

Catalog	Name
D3727-70	2,2-Diphenylpentanoic Acid (2,2-Diphenylvaleric Acid)
MBS6054549-01	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)
AR-V01417-01	Vildagliptin carboxylic acid 2,2,2-trifluoroacetic acid
14633379-250g	Homophthalic acid (2-Carboxyphenylacetic acid)
214461	2-Propylvaleric Acid (Valproic Acid)
FD29145-01	2,2-Dimethylsuccinic acid
YAA77294-01	2,2-Dicyclopropylacetic acid