(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid

C7H12N2O3 — CID 23559820

IUPAC(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CCNC1=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)/t4-,5-/m0/s1
InChIKeyVXXDNHDRHRMKSZ-WHFBIAKZSA-N
MW172.18 g/mol
LogP-1.08
Rot. Bonds3

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

(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid (PubChem CID 23559820) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
PubChem CID23559820
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid
SMILESN[C@@H](C[C@@H]1CCNC1=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)/t4-,5-/m0/s1
InChIKeyVXXDNHDRHRMKSZ-WHFBIAKZSA-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 (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid (CID 23559820) is (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid is N[C@@H](C[C@@H]1CCNC1=O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid?
The InChIKey is VXXDNHDRHRMKSZ-WHFBIAKZSA-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)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid?
(2S)-2-amino-3-[(3S)-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 (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoic acid is sourced from PubChem (CID 23559820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).