(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide

C12H16N2O3 — CID 79411041

IUPAC(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-8-3-2-4-9(5-8)13-12(17)14-6-10(15)11(16)7-14/h2-5,10-11,15-16H,6-7H2,1H3,(H,13,17)/t10-,11+
InChIKeyRKFIVZIPLKCFBX-PHIMTYICSA-N
MW236.27 g/mol
LogP0.56
Rot. Bonds1

About (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide

(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 79411041) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID79411041
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)c1
InChIInChI=1S/C12H16N2O3/c1-8-3-2-4-9(5-8)13-12(17)14-6-10(15)11(16)7-14/h2-5,10-11,15-16H,6-7H2,1H3,(H,13,17)/t10-,11+
InChIKeyRKFIVZIPLKCFBX-PHIMTYICSA-N
XLogP0.56
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
3-[bis(2-methylpropyl)amino]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 23139973
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
3-(2,5-dioxoimidazolidin-1-yl)-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121159564
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(1S,6R)-6-methyl-N-(3-methylphenyl)-1-oxo-1,4-thiazepane-4-carboxamide
CID 100714587
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-N-methyl-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 84531623
3-hydroxy-N-(3-methylphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 140683921

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide (CID 79411041) is (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2C[C@@H](O)[C@@H](O)C2)c1.
What is the InChIKey of (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is RKFIVZIPLKCFBX-PHIMTYICSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-3-2-4-9(5-8)13-12(17)14-6-10(15)11(16)7-14/h2-5,10-11,15-16H,6-7H2,1H3,(H,13,17)/t10-,11+.
What are the key properties of (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide?
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79411041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).