2-Pivalamidopentanoic acid

CAT: 0127-OR1034827-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1034827-01Size:1 g

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CAS Number

1380547-40-9

Purity

95%

Smiles

CCCC(C(O)=O)NC(C(C)(C)C)=O

Chemical Information

2-Pivalamidopentanoic acid

CAS Number	1380547-40-9
PubChem CID	43630244
IUPAC Name	2-(2,2-dimethylpropanoylamino)pentanoic acid
Molecular Formula	C10H19NO3
Molecular Weight	201.26
XLogP	1.8
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

CCCC(C(=O)O)NC(=O)C(C)(C)C

InChI

InChI=1S/C10H19NO3/c1-5-6-7(8(12)13)11-9(14)10(2,3)4/h7H,5-6H2,1-4H3,(H,11,14)(H,12,13)

InChIKey

QZQCMSRNYSDKMY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1380547-40-9

CID: 43630244

Formula: C10H19NO3

MW: 201.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.26
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	201.13649347
Monoisotopic Mass	201.13649347
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
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

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