(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide

C13H17N3O3 — CID 99797041

IUPAC(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C13H17N3O3/c1-9-2-4-10(5-3-9)15-12(18)16-7-6-13(19,8-16)11(14)17/h2-5,19H,6-8H2,1H3,(H2,14,17)(H,15,18)/t13-/m0/s1
InChIKeyYIDCNFIFMVRLHY-ZDUSSCGKSA-N
MW263.30 g/mol
LogP0.45
Rot. Bonds2

About (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide

(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 99797041) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
PubChem CID99797041
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1
InChIInChI=1S/C13H17N3O3/c1-9-2-4-10(5-3-9)15-12(18)16-7-6-13(19,8-16)11(14)17/h2-5,19H,6-8H2,1H3,(H2,14,17)(H,15,18)/t13-/m0/s1
InChIKeyYIDCNFIFMVRLHY-ZDUSSCGKSA-N
XLogP0.45
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
(3S)-3-hydroxy-1-N-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-3-yl)pyrrolidine-1,3-dicarboxamide
CID 164642350
2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 175373434
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
1-N-[4-[cyclohexyl(methyl)amino]-3-fluorophenyl]-3-hydroxypyrrolidine-1,3-dicarboxamide
CID 86819884
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
N,4-bis(4-methylphenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113187
(6S)-1-methyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495388

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide (CID 99797041) is (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide is Cc1ccc(NC(=O)N2CC[C@@](O)(C(N)=O)C2)cc1.
What is the InChIKey of (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is YIDCNFIFMVRLHY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-2-4-10(5-3-9)15-12(18)16-7-6-13(19,8-16)11(14)17/h2-5,19H,6-8H2,1H3,(H2,14,17)(H,15,18)/t13-/m0/s1.
What are the key properties of (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 99797041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).