2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid

C7H12N2O3 — CID 22247797

IUPAC2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESNC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C7H12N2O3/c8-5(7(11)12)3-4-1-2-9-6(4)10/h4-5H,1-3,8H2,(H,9,10)(H,11,12)
InChIKeyVXXDNHDRHRMKSZ-UHFFFAOYSA-N
MW172.18 g/mol
LogP-1.08
Rot. Bonds3

About 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid

2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid (PubChem CID 22247797) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid
PubChem CID22247797
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid
SMILESNC(CC1CCNC1=O)C(=O)O
InChIInChI=1S/C7H12N2O3/c8-5(7(11)12)3-4-1-2-9-6(4)10/h4-5H,1-3,8H2,(H,9,10)(H,11,12)
InChIKeyVXXDNHDRHRMKSZ-UHFFFAOYSA-N
XLogP-1.08
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid (CID 22247797) is 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid is NC(CC1CCNC1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid?
The InChIKey is VXXDNHDRHRMKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-5(7(11)12)3-4-1-2-9-6(4)10/h4-5H,1-3,8H2,(H,9,10)(H,11,12).
What are the key properties of 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid?
2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid has a molecular weight of 172.18 g/mol, XLogP of -1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxopyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 22247797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).