(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid

C8H12N2O4 — CID 90168526

IUPAC(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCCC1=O
InChIInChI=1S/C8H12N2O4/c9-5(4-7(12)13)8(14)10-3-1-2-6(10)11/h5H,1-4,9H2,(H,12,13)/t5-/m0/s1
InChIKeyISODBHWMZKLVEP-YFKPBYRVSA-N
MW200.19 g/mol
LogP-1.06
Rot. Bonds3

About (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid

(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid (PubChem CID 90168526) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
PubChem CID90168526
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid
SMILESN[C@@H](CC(=O)O)C(=O)N1CCCC1=O
InChIInChI=1S/C8H12N2O4/c9-5(4-7(12)13)8(14)10-3-1-2-6(10)11/h5H,1-4,9H2,(H,12,13)/t5-/m0/s1
InChIKeyISODBHWMZKLVEP-YFKPBYRVSA-N
XLogP-1.06
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-1-(2-oxopyrrolidin-1-yl)butane-1,3-dione
CID 10932126
2-oxopyrrolidine-1-carboxylic acid;urea
CID 158320427
1-(2-methylpropanoyl)azepan-2-one
CID 86179400
2-oxopyrrolidine-1-carboxylic acid;zinc
CID 174972169
1-(2-aminoacetyl)pyrrolidin-2-one
CID 55208573
3-amino-4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid
CID 64894985
2-acetamido-3-(2-oxopyrrolidin-1-yl)propanoic acid
CID 64582491
3-oxo-3-(2-oxopyrrolidin-1-yl)propanamide
CID 174751392
3-amino-4-oxo-4-(1,4-thiazepan-4-yl)butanoic acid
CID 64896344
3-methyl-4-(2-oxopiperidin-1-yl)butanoic acid
CID 79006816
zinc bis(2-oxopyrrolidine-1-carboxylate)
CID 22183105
1-(1-aminoethenyl)pyrrolidin-2-one
CID 18740015

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The IUPAC name of (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid (CID 90168526) is (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The canonical SMILES for (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid is N[C@@H](CC(=O)O)C(=O)N1CCCC1=O.
What is the InChIKey of (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
The InChIKey is ISODBHWMZKLVEP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H12N2O4/c9-5(4-7(12)13)8(14)10-3-1-2-6(10)11/h5H,1-4,9H2,(H,12,13)/t5-/m0/s1.
What are the key properties of (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid?
(3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid has a molecular weight of 200.19 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-oxo-4-(2-oxopyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 90168526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).