(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

C13H18N2O3 — CID 97247545

IUPAC(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)cc1
InChIInChI=1S/C13H18N2O3/c1-9-2-4-10(5-3-9)14-13(18)15-7-12(17)6-11(15)8-16/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18)/t11-,12-/m1/s1
InChIKeyRVNODLCPPRSLAJ-VXGBXAGGSA-N
MW250.30 g/mol
LogP0.95
Rot. Bonds2

About (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide

(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (PubChem CID 97247545) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
PubChem CID97247545
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)cc1
InChIInChI=1S/C13H18N2O3/c1-9-2-4-10(5-3-9)14-13(18)15-7-12(17)6-11(15)8-16/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18)/t11-,12-/m1/s1
InChIKeyRVNODLCPPRSLAJ-VXGBXAGGSA-N
XLogP0.95
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-[3-(2-methoxyphenyl)phenyl]pyrrolidine-1-carboxamide
CID 97341846
(2R)-2,5-dimethyl-N-(4-methylphenyl)piperidine-1-carboxamide
CID 143234820
(2S,4R)-4-(dimethylamino)-2-(hydroxymethyl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-1-carboxamide
CID 72866822
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2S,4R)-4-hydroxy-2-(hydroxymethyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxamide
CID 154740942
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
1-[(4-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43185753
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
(2S,4S)-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 124618152
(2S)-2-(hydroxymethyl)-N-[4-(2-methylphenyl)phenyl]piperidine-1-carboxamide
CID 125168729

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide (CID 97247545) is (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2CO)cc1.
What is the InChIKey of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
The InChIKey is RVNODLCPPRSLAJ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9-2-4-10(5-3-9)14-13(18)15-7-12(17)6-11(15)8-16/h2-5,11-12,16-17H,6-8H2,1H3,(H,14,18)/t11-,12-/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide?
(2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-2-(hydroxymethyl)-N-(4-methylphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 97247545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).