(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide

C7H13N3O2 — CID 157400355

IUPAC(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
SMILESNC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C7H13N3O2/c8-5(6(9)11)3-4-1-2-10-7(4)12/h4-5H,1-3,8H2,(H2,9,11)(H,10,12)/t4-,5-/m0/s1
InChIKeyGZXSWPJYQCXXED-WHFBIAKZSA-N
MW171.20 g/mol
LogP-1.67
Rot. Bonds3

About (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide

(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide (PubChem CID 157400355) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
PubChem CID157400355
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
SMILESNC(=O)[C@@H](N)C[C@@H]1CCNC1=O
InChIInChI=1S/C7H13N3O2/c8-5(6(9)11)3-4-1-2-10-7(4)12/h4-5H,1-3,8H2,(H2,9,11)(H,10,12)/t4-,5-/m0/s1
InChIKeyGZXSWPJYQCXXED-WHFBIAKZSA-N
XLogP-1.67
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide (CID 157400355) is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide is NC(=O)[C@@H](N)C[C@@H]1CCNC1=O.
What is the InChIKey of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
The InChIKey is GZXSWPJYQCXXED-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-5(6(9)11)3-4-1-2-10-7(4)12/h4-5H,1-3,8H2,(H2,9,11)(H,10,12)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide?
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide has a molecular weight of 171.20 g/mol, XLogP of -1.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide is sourced from PubChem (CID 157400355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).