(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 61196296

IUPAC(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-7-9(16)6-11(15)12(17)18/h2-5,9,11,16H,6-7H2,1H3,(H,14,19)(H,17,18)/t9?,11-/m0/s1
InChIKeyJGONPUYLNISANZ-UMJHXOGRSA-N
MW264.28 g/mol
LogP1.05
Rot. Bonds2

About (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 61196296) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID61196296
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccccc1NC(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-7-9(16)6-11(15)12(17)18/h2-5,9,11,16H,6-7H2,1H3,(H,14,19)(H,17,18)/t9?,11-/m0/s1
InChIKeyJGONPUYLNISANZ-UMJHXOGRSA-N
XLogP1.05
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-1-[(4-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843203
(2R,4R)-1-[(5-fluoro-2-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000168
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(2-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61182751
(2S)-1-[(2,5-dichloro-4-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104727758
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
(2S)-1-[(2,5-difluoro-4-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103586807
(2R,4R)-1-[(3-chloro-2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999655
(2S)-1-[(2-bromo-5-chloro-4-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104724781
(4R)-3-[(2-methylphenyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 61196484
1-[(2,6-difluoro-3-methylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82801966
4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186019

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 61196296) is (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is Cc1ccccc1NC(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JGONPUYLNISANZ-UMJHXOGRSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-4-2-3-5-10(8)14-13(19)15-7-9(16)6-11(15)12(17)18/h2-5,9,11,16H,6-7H2,1H3,(H,14,19)(H,17,18)/t9?,11-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61196296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).