(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid

C9H16N2O3 — CID 67330383

IUPAC(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESN[C@@H](CC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1
InChIKeyDFQJEDOASBZINA-ZETCQYMHSA-N
MW200.24 g/mol
LogP-0.20
Rot. Bonds3

About (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid

(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid (PubChem CID 67330383) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
PubChem CID67330383
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid
SMILESN[C@@H](CC(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1
InChIKeyDFQJEDOASBZINA-ZETCQYMHSA-N
XLogP-0.20
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 ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 42627584
2-amino-4-oxo-4-piperazin-1-ylbutanoic acid
CID 70945873
2-amino-3-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpropanoic acid
CID 43176433
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
6-(azepan-1-yl)-6-oxohexanamide;2,5-diamino-5-oxopentanoic acid
CID 174933136
(2S)-2-amino-4-oxo-4-(4-piperidin-3-ylpiperidin-1-yl)butanoic acid
CID 146145442
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849
(2R,4S)-2-amino-4-piperidin-1-ylpentanedioic acid
CID 23631709
(2R)-2-[2-(azocan-1-yl)-2-oxoethyl]-4-methylpentanoic acid
CID 54139015
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid (CID 67330383) is (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid is N[C@@H](CC(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid?
The InChIKey is DFQJEDOASBZINA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16N2O3/c10-7(9(13)14)6-8(12)11-4-2-1-3-5-11/h7H,1-6,10H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid?
(2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid has a molecular weight of 200.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-oxo-4-piperidin-1-ylbutanoic acid is sourced from PubChem (CID 67330383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).