(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid

C7H12N2O3S — CID 168698989

IUPAC(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
SMILESNC1CC(=O)N([C@@H](CS)C(=O)O)C1
InChIInChI=1S/C7H12N2O3S/c8-4-1-6(10)9(2-4)5(3-13)7(11)12/h4-5,13H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyRKJIYQSNPDLVRI-AKGZTFGVSA-N
MW204.25 g/mol
LogP-1.07
Rot. Bonds3

About (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid

(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid (PubChem CID 168698989) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
PubChem CID168698989
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
SMILESNC1CC(=O)N([C@@H](CS)C(=O)O)C1
InChIInChI=1S/C7H12N2O3S/c8-4-1-6(10)9(2-4)5(3-13)7(11)12/h4-5,13H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyRKJIYQSNPDLVRI-AKGZTFGVSA-N
XLogP-1.07
TPSA83.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168701722
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(4-chlorophenyl)propanoic acid
CID 168698995
(2S)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pentanedioic acid
CID 168669478
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-(2-fluorophenyl)propanoic acid
CID 168699011
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168669419
(2R,3S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168698683
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168669302
2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168658950
(2S)-2-[(4S)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 67365791
(2S)-2-[(4R)-2-oxo-4-propylpyrrolidin-1-yl]butanoic acid
CID 59650074
2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanedioic acid
CID 168680383

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid (CID 168698989) is (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid is NC1CC(=O)N([C@@H](CS)C(=O)O)C1.
What is the InChIKey of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The InChIKey is RKJIYQSNPDLVRI-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H12N2O3S/c8-4-1-6(10)9(2-4)5(3-13)7(11)12/h4-5,13H,1-3,8H2,(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
(2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid has a molecular weight of 204.25 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 168698989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).