3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid

C19H20N2O3 — CID 97337283

IUPAC3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c22-18(20-16-9-4-8-15(12-16)19(23)24)17-10-5-11-21(17)13-14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyILVDBHMUIJTHNT-QGZVFWFLSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds5

About 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid

3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid (PubChem CID 97337283) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
PubChem CID97337283
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1
InChIInChI=1S/C19H20N2O3/c22-18(20-16-9-4-8-15(12-16)19(23)24)17-10-5-11-21(17)13-14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,22)(H,23,24)/t17-/m1/s1
InChIKeyILVDBHMUIJTHNT-QGZVFWFLSA-N
XLogP2.99
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
3-[[(2S)-1-propylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 129407602
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
1-benzyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-2-carboxamide
CID 60579858
methyl 2-[[3-[[(2S)-1-benzylazetidine-2-carbonyl]amino]benzoyl]amino]acetate
CID 96509463
1-benzyl-N-[3-(1-methoxyethyl)phenyl]piperidine-2-carboxamide
CID 75373922
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090
N-(2-benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 138108901
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
N-(3-amino-4-methoxyphenyl)-1-benzylpyrrolidine-2-carboxamide;dihydrochloride
CID 119420472

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid (CID 97337283) is 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid is O=C(O)c1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1.
What is the InChIKey of 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid?
The InChIKey is ILVDBHMUIJTHNT-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c22-18(20-16-9-4-8-15(12-16)19(23)24)17-10-5-11-21(17)13-14-6-2-1-3-7-14/h1-4,6-9,12,17H,5,10-11,13H2,(H,20,22)(H,23,24)/t17-/m1/s1.
What are the key properties of 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid?
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid has a molecular weight of 324.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 97337283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).