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

C7H11NO4S — CID 168701722

IUPAC(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N1CC(O)CC1=O
InChIInChI=1S/C7H11NO4S/c9-4-1-6(10)8(2-4)5(3-13)7(11)12/h4-5,9,13H,1-3H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyDGGPWBDRHFPEJH-AKGZTFGVSA-N
MW205.23 g/mol
LogP-1.04
Rot. Bonds3

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

(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid (PubChem CID 168701722) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
PubChem CID168701722
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
SMILESO=C(O)[C@H](CS)N1CC(O)CC1=O
InChIInChI=1S/C7H11NO4S/c9-4-1-6(10)8(2-4)5(3-13)7(11)12/h4-5,9,13H,1-3H2,(H,11,12)/t4?,5-/m0/s1
InChIKeyDGGPWBDRHFPEJH-AKGZTFGVSA-N
XLogP-1.04
TPSA77.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-1.04
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-amino-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168698989
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
3-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)propanoic acid
CID 168701665
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
(2S)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pentanedioic acid
CID 168669478
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]-3-sulfopropanoic acid
CID 168669419
(2S)-2-(4-chloro-2-oxopyrrolidin-1-yl)butanoic acid
CID 168686963
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxybutanoic acid
CID 168713395
2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]octanoic acid
CID 168669302
2-[4-(2-methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanoic acid
CID 22387223
2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CID 168701618
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The IUPAC name of (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid (CID 168701722) is (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid is O=C(O)[C@H](CS)N1CC(O)CC1=O.
What is the InChIKey of (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
The InChIKey is DGGPWBDRHFPEJH-AKGZTFGVSA-N. The full InChI is InChI=1S/C7H11NO4S/c9-4-1-6(10)8(2-4)5(3-13)7(11)12/h4-5,9,13H,1-3H2,(H,11,12)/t4?,5-/m0/s1.
What are the key properties of (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid?
(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid has a molecular weight of 205.23 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid is sourced from PubChem (CID 168701722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).