2-amino-3-(2-oxopiperidin-3-yl)propanoic acid

C8H14N2O3 — CID 22247801

IUPAC2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
SMILESNC(CC1CCCNC1=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h5-6H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyOVWKHGGFYXIBGJ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.69
Rot. Bonds3

About 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid

2-amino-3-(2-oxopiperidin-3-yl)propanoic acid (PubChem CID 22247801) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
PubChem CID22247801
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-amino-3-(2-oxopiperidin-3-yl)propanoic acid
SMILESNC(CC1CCCNC1=O)C(=O)O
InChIInChI=1S/C8H14N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h5-6H,1-4,9H2,(H,10,11)(H,12,13)
InChIKeyOVWKHGGFYXIBGJ-UHFFFAOYSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-amino-3-(2-oxopiperidin-3-yl)propanoate;hydrochloride
CID 169257069
(3S)-3-(2-amino-2-hydroxyethyl)azepan-2-one
CID 68951784
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(2S)-2-[[(2S)-2-amino-4,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanoic acid
CID 166744926
2-[(2-amino-4,4-dimethylpentanoyl)amino]-3-(2-oxopiperidin-3-yl)propanoic acid
CID 175458213
(2S)-2-amino-N-[(2S)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]-4-methylpentanamide
CID 155375812
(3S)-3-(2-amino-4-chloro-3-oxobutyl)pyrrolidin-2-one
CID 143139104
(3S)-2-(2,2-dimethylpropyl)-3-[[(3S)-2-oxopiperidin-3-yl]methyl]butanediamide
CID 162479477
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide;prop-1-ene
CID 166112266
3-(2-hydroxy-2-phenylethyl)piperidin-2-one
CID 104679238
(2S)-2-[[2-amino-3-(2,2-dimethylcyclopropyl)propanoyl]amino]-3-[(3S)-2-oxopiperidin-3-yl]propanamide
CID 166893555
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid (CID 22247801) is 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid is NC(CC1CCCNC1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid?
The InChIKey is OVWKHGGFYXIBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h5-6H,1-4,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid?
2-amino-3-(2-oxopiperidin-3-yl)propanoic acid has a molecular weight of 186.21 g/mol, XLogP of -0.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxopiperidin-3-yl)propanoic acid is sourced from PubChem (CID 22247801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).