1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C13H15ClN2O5 — CID 61181705

IUPAC1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CC(O)CC2C(=O)O)cc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-21-11-3-2-7(4-9(11)14)15-13(20)16-6-8(17)5-10(16)12(18)19/h2-4,8,10,17H,5-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyMNEMKHGEHSECCV-UHFFFAOYSA-N
MW314.73 g/mol
LogP1.40
Rot. Bonds3

About 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 61181705) has the molecular formula C13H15ClN2O5 and a molecular weight of 314.73 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID61181705
Molecular FormulaC13H15ClN2O5
Molecular Weight314.73 g/mol
Exact Mass314.07
IUPAC Name1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CC(O)CC2C(=O)O)cc1Cl
InChIInChI=1S/C13H15ClN2O5/c1-21-11-3-2-7(4-9(11)14)15-13(20)16-6-8(17)5-10(16)12(18)19/h2-4,8,10,17H,5-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyMNEMKHGEHSECCV-UHFFFAOYSA-N
XLogP1.40
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-chloro-4-methoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182045
4-hydroxy-1-[(2-methoxy-5-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186019
1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 16775382
(2S,4R)-1-[(3-chlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 30045568
(2S)-4-hydroxy-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61143269
1-[(4-bromo-3-chlorophenyl)carbamoyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 107614576
ethyl (2S,4R)-1-[(3,4-dichlorophenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylate
CID 110191700
(2R,4R)-1-[(3-acetylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000304
(2R,4R)-1-[(3-bromo-5-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 82860449
(2S,4S)-1-[(4-ethylphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712537
(2R,4R)-1-[(4-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000351
4-hydroxy-1-[(2,4,5-trichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61182258

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 61181705) is 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is COc1ccc(NC(=O)N2CC(O)CC2C(=O)O)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is MNEMKHGEHSECCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O5/c1-21-11-3-2-7(4-9(11)14)15-13(20)16-6-8(17)5-10(16)12(18)19/h2-4,8,10,17H,5-6H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 314.73 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61181705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).