(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid

C13H14N2O4 — CID 78922123

IUPAC(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H14N2O4/c14-11(16)8-3-1-4-9(7-8)12(17)15-6-2-5-10(15)13(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19)/t10-/m1/s1
InChIKeyIBCIUXHDRGCDFP-SNVBAGLBSA-N
MW262.26 g/mol
LogP0.47
Rot. Bonds3

About (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 78922123) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID78922123
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H14N2O4/c14-11(16)8-3-1-4-9(7-8)12(17)15-6-2-5-10(15)13(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19)/t10-/m1/s1
InChIKeyIBCIUXHDRGCDFP-SNVBAGLBSA-N
XLogP0.47
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
1-[3-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355631
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
1-(3-pyrrol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 119164521
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650
(2R)-1-(3-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 78922398
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355514
1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
1-[3-(trifluoromethyl)benzoyl]piperidine-2-carboxylic acid
CID 43079381

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid (CID 78922123) is (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid is NC(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)O)c1.
What is the InChIKey of (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is IBCIUXHDRGCDFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O4/c14-11(16)8-3-1-4-9(7-8)12(17)15-6-2-5-10(15)13(18)19/h1,3-4,7,10H,2,5-6H2,(H2,14,16)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).