4-(pyrrolidine-1-carbonylamino)benzoic acid

C12H14N2O3 — CID 39732858

IUPAC4-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,17)(H,15,16)
InChIKeyRYQRZHAAHBOYLH-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds2

About 4-(pyrrolidine-1-carbonylamino)benzoic acid

4-(pyrrolidine-1-carbonylamino)benzoic acid (PubChem CID 39732858) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(pyrrolidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-(pyrrolidine-1-carbonylamino)benzoic acid
PubChem CID39732858
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,17)(H,15,16)
InChIKeyRYQRZHAAHBOYLH-UHFFFAOYSA-N
XLogP2.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-hydroxypiperidine-1-carbonyl)amino]benzoic acid
CID 61439140
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 47198823
N-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552
N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]piperidine-1-carboxamide
CID 79155365
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070
4-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61199921
N-[4-(cyclopentylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51085603
4-[(3-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 102962894
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027

Frequently Asked Questions

What is the IUPAC name of 4-(pyrrolidine-1-carbonylamino)benzoic acid?
The IUPAC name of 4-(pyrrolidine-1-carbonylamino)benzoic acid (CID 39732858) is 4-(pyrrolidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 4-(pyrrolidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 4-(pyrrolidine-1-carbonylamino)benzoic acid is O=C(O)c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of 4-(pyrrolidine-1-carbonylamino)benzoic acid?
The InChIKey is RYQRZHAAHBOYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)9-3-5-10(6-4-9)13-12(17)14-7-1-2-8-14/h3-6H,1-2,7-8H2,(H,13,17)(H,15,16).
What are the key properties of 4-(pyrrolidine-1-carbonylamino)benzoic acid?
4-(pyrrolidine-1-carbonylamino)benzoic acid has a molecular weight of 234.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrolidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 39732858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).