2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid

C6H10N2O3 — CID 45082281

IUPAC2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
SMILESN[C@@H]1CCC(=O)N1CC(=O)O
InChIInChI=1S/C6H10N2O3/c7-4-1-2-5(9)8(4)3-6(10)11/h4H,1-3,7H2,(H,10,11)/t4-/m0/s1
InChIKeyKHVKXWZYVMHZAC-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.02
Rot. Bonds2

About 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid

2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid (PubChem CID 45082281) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
PubChem CID45082281
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid
SMILESN[C@@H]1CCC(=O)N1CC(=O)O
InChIInChI=1S/C6H10N2O3/c7-4-1-2-5(9)8(4)3-6(10)11/h4H,1-3,7H2,(H,10,11)/t4-/m0/s1
InChIKeyKHVKXWZYVMHZAC-BYPYZUCNSA-N
XLogP-1.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid (CID 45082281) is 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid is N[C@@H]1CCC(=O)N1CC(=O)O.
What is the InChIKey of 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is KHVKXWZYVMHZAC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-4-1-2-5(9)8(4)3-6(10)11/h4H,1-3,7H2,(H,10,11)/t4-/m0/s1.
What are the key properties of 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid?
2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 158.16 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-5-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 45082281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).