(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

C17H16ClN3O3 — CID 86288013

IUPAC(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccncc1
InChIInChI=1S/C17H16ClN3O3/c18-12-3-4-13(11-5-7-19-8-6-11)14(10-12)20-17(24)21-9-1-2-15(21)16(22)23/h3-8,10,15H,1-2,9H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyOMADRODHRUZLTJ-OAHLLOKOSA-N
MW345.79 g/mol
LogP3.48
Rot. Bonds3

About (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 86288013) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID86288013
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccncc1
InChIInChI=1S/C17H16ClN3O3/c18-12-3-4-13(11-5-7-19-8-6-11)14(10-12)20-17(24)21-9-1-2-15(21)16(22)23/h3-8,10,15H,1-2,9H2,(H,20,24)(H,22,23)/t15-/m1/s1
InChIKeyOMADRODHRUZLTJ-OAHLLOKOSA-N
XLogP3.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-chloro-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459957
1-[(5-chloro-2-methylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61192230
(2R)-1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 86288007
1-[[5-chloro-2-(3,5-difluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90459396
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
1-[[5-chloro-2-(3-fluorophenyl)phenyl]carbamoyl]azetidine-2-carboxylic acid
CID 90460539
1-[(5-chloro-2-phenoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90459455
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
1-[[2-phenyl-5-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 90460297
1-[(3,4-difluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61185440
(2R)-1-[(5-chloro-3-cyclohexyl-2-phenylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 141417313
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 86288013) is (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Nc1cc(Cl)ccc1-c1ccncc1.
What is the InChIKey of (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OMADRODHRUZLTJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c18-12-3-4-13(11-5-7-19-8-6-11)14(10-12)20-17(24)21-9-1-2-15(21)16(22)23/h3-8,10,15H,1-2,9H2,(H,20,24)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 345.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(5-chloro-2-pyridin-4-ylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 86288013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).