2-(pyrrolidine-1-carbonylamino)benzoic acid

C12H14N2O3 — CID 10585756

IUPAC2-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16)
InChIKeyQAOIGTCTZRIIDN-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.01
Rot. Bonds2

About 2-(pyrrolidine-1-carbonylamino)benzoic acid

2-(pyrrolidine-1-carbonylamino)benzoic acid (PubChem CID 10585756) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(pyrrolidine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(pyrrolidine-1-carbonylamino)benzoic acid
PubChem CID10585756
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(pyrrolidine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16)
InChIKeyQAOIGTCTZRIIDN-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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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidine-1-carbonylamino)benzoic acid?
The IUPAC name of 2-(pyrrolidine-1-carbonylamino)benzoic acid (CID 10585756) is 2-(pyrrolidine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 2-(pyrrolidine-1-carbonylamino)benzoic acid?
The canonical SMILES for 2-(pyrrolidine-1-carbonylamino)benzoic acid is O=C(O)c1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidine-1-carbonylamino)benzoic acid?
The InChIKey is QAOIGTCTZRIIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)9-5-1-2-6-10(9)13-12(17)14-7-3-4-8-14/h1-2,5-6H,3-4,7-8H2,(H,13,17)(H,15,16).
What are the key properties of 2-(pyrrolidine-1-carbonylamino)benzoic acid?
2-(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 2-(pyrrolidine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 10585756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).