methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate

C13H15ClN2O3 — CID 66680324

IUPACmethyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H15ClN2O3/c1-19-13(18)9-7-8(14)4-5-10(9)16-12(17)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWRVXQFIMJAMRJE-LLVKDONJSA-N
MW282.73 g/mol
LogP1.82
Rot. Bonds3

About methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate

methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate (PubChem CID 66680324) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
PubChem CID66680324
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Namemethyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
SMILESCOC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C13H15ClN2O3/c1-19-13(18)9-7-8(14)4-5-10(9)16-12(17)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyWRVXQFIMJAMRJE-LLVKDONJSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(pyrrolidine-2-carbonylamino)benzoic acid
CID 61157828
N-[4-chloro-2-(diaminomethylidenecarbamoyl)phenyl]piperidine-2-carboxamide
CID 146033506
(2R)-N-(2-bromo-4-chlorophenyl)piperidine-2-carboxamide
CID 104914354
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
N-(5-chloro-2-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119264186
methyl 4-chloro-2-(thiomorpholine-3-carbonylamino)benzoate
CID 82906504
methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
N-(2-chloro-4,5-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 43233979
(2R)-N-(2-fluoro-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 113264214

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate?
The IUPAC name of methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate (CID 66680324) is methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate?
The canonical SMILES for methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate is COC(=O)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN1.
What is the InChIKey of methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate?
The InChIKey is WRVXQFIMJAMRJE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-19-13(18)9-7-8(14)4-5-10(9)16-12(17)11-3-2-6-15-11/h4-5,7,11,15H,2-3,6H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate?
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate has a molecular weight of 282.73 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate is sourced from PubChem (CID 66680324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).