2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid

C15H14N2O4 — CID 67760510

IUPAC2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid
SMILESCC(OC(=O)Nc1ccccc1C(=O)O)c1ccccn1
InChIInChI=1S/C15H14N2O4/c1-10(12-7-4-5-9-16-12)21-15(20)17-13-8-3-2-6-11(13)14(18)19/h2-10H,1H3,(H,17,20)(H,18,19)
InChIKeyYHLICYZIXIBAAD-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.09
Rot. Bonds4

About 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid

2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid (PubChem CID 67760510) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid
PubChem CID67760510
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid
SMILESCC(OC(=O)Nc1ccccc1C(=O)O)c1ccccn1
InChIInChI=1S/C15H14N2O4/c1-10(12-7-4-5-9-16-12)21-15(20)17-13-8-3-2-6-11(13)14(18)19/h2-10H,1H3,(H,17,20)(H,18,19)
InChIKeyYHLICYZIXIBAAD-UHFFFAOYSA-N
XLogP3.09
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-pyridin-2-ylethyl propanoate
CID 141268318
4-(propan-2-yloxycarbonylamino)pyridine-3-carboxylic acid
CID 143011020
phenyl N-[(1S)-1-pyridin-2-ylethyl]carbamate
CID 78980082
CID 170843062
CID 170843062
1-pyridin-2-ylethyl N-(aminomethylidene)carbamate
CID 91804895
[(1S)-1-pyridin-2-ylethyl] 4-carbamoylbenzoate
CID 95908447
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
2-[(1-pyridin-2-ylethylamino)methyl]pyridine-3-carboxylic acid
CID 114198630
1-phenylethyl N-(2-chlorophenyl)carbamate
CID 174361176
2-(3-pyridin-2-ylpropanoylamino)benzoic acid
CID 110468304
2-[1-(1,3-thiazol-4-yl)ethylamino]benzoic acid
CID 113486843

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid?
The IUPAC name of 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid (CID 67760510) is 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid.
What is the SMILES notation for 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid?
The canonical SMILES for 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid is CC(OC(=O)Nc1ccccc1C(=O)O)c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid?
The InChIKey is YHLICYZIXIBAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10(12-7-4-5-9-16-12)21-15(20)17-13-8-3-2-6-11(13)14(18)19/h2-10H,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid?
2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid has a molecular weight of 286.29 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethoxycarbonylamino)benzoic acid is sourced from PubChem (CID 67760510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).