2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid

C9H16N2O3 — CID 104679872

IUPAC2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
SMILESCC1CCCN(CC(N)C(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyHYIMDAVDSWVNFG-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.34
Rot. Bonds3

About 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid

2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid (PubChem CID 104679872) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
PubChem CID104679872
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
SMILESCC1CCCN(CC(N)C(=O)O)C1=O
InChIInChI=1S/C9H16N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)
InChIKeyHYIMDAVDSWVNFG-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
(2S)-2-amino-3-(3-amino-2-oxopyrrolidin-1-yl)propanoic acid
CID 178147603
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
5-(3-methyl-2-oxopiperidin-1-yl)pentanoic acid
CID 104679844
2,2-dimethyl-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679897
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-(2-cyclopentyl-2-oxoethyl)-3-methylpiperidin-2-one
CID 104751665
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid (CID 104679872) is 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid is CC1CCCN(CC(N)C(=O)O)C1=O.
What is the InChIKey of 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
The InChIKey is HYIMDAVDSWVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid?
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid is sourced from PubChem (CID 104679872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).