2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C13H17N3O3 — CID 175373434

IUPAC2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2(O)C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-9-3-5-10(6-4-9)15-12(18)16-8-2-7-13(16,19)11(14)17/h3-6,19H,2,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyKGLPLCGHTDZANI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.80
Rot. Bonds2

About 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 175373434) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID175373434
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCCC2(O)C(N)=O)cc1
InChIInChI=1S/C13H17N3O3/c1-9-3-5-10(6-4-9)15-12(18)16-8-2-7-13(16,19)11(14)17/h3-6,19H,2,7-8H2,1H3,(H2,14,17)(H,15,18)
InChIKeyKGLPLCGHTDZANI-UHFFFAOYSA-N
XLogP0.80
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 ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 99797041
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 63137931
(6S)-1-methyl-N-(4-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
CID 97495388
methanamine;N-(4-methylphenyl)acetamide
CID 142152295
N-(4-methylphenyl)acetamide
CID 7684
1-(4-methylanilino)cyclobutane-1-carboxamide
CID 61006087
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
4-(4-methylanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65075790

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 175373434) is 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccc(NC(=O)N2CCCC2(O)C(N)=O)cc1.
What is the InChIKey of 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is KGLPLCGHTDZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-3-5-10(6-4-9)15-12(18)16-8-2-7-13(16,19)11(14)17/h3-6,19H,2,7-8H2,1H3,(H2,14,17)(H,15,18).
What are the key properties of 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 175373434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).