(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H15ClN2O4 — CID 63841658

IUPAC(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O4/c14-10-4-2-1-3-8(10)6-15-13(20)16-7-9(17)5-11(16)12(18)19/h1-4,9,11,17H,5-7H2,(H,15,20)(H,18,19)/t9-,11+/m1/s1
InChIKeyCZESKWSMPDTFIW-KOLCDFICSA-N
MW298.73 g/mol
LogP1.07
Rot. Bonds3

About (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63841658) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63841658
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H15ClN2O4/c14-10-4-2-1-3-8(10)6-15-13(20)16-7-9(17)5-11(16)12(18)19/h1-4,9,11,17H,5-7H2,(H,15,20)(H,18,19)/t9-,11+/m1/s1
InChIKeyCZESKWSMPDTFIW-KOLCDFICSA-N
XLogP1.07
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712406
(2S,4R)-1-[(2-ethylphenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64693701
(2S)-4-hydroxy-1-[(2-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 61203885
(2S)-1-[(2-chlorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 28509931
(2S,4S)-1-[(2,5-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713954
1-[(2,5-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63791730
4-hydroxy-1-(pyridin-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61200630
(2S,4R)-1-[(2-chloro-6-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 104877883
(2R,4R)-4-hydroxy-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 79000393
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(2-chlorophenyl)methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79382598
(2R,4R)-1-[(3,4-difluorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000456

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 63841658) is (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)NCc1ccccc1Cl.
What is the InChIKey of (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CZESKWSMPDTFIW-KOLCDFICSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-10-4-2-1-3-8(10)6-15-13(20)16-7-9(17)5-11(16)12(18)19/h1-4,9,11,17H,5-7H2,(H,15,20)(H,18,19)/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 298.73 g/mol, XLogP of 1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[(2-chlorophenyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).