2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

C12H14N2O3 — CID 54918518

IUPAC2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1ccccn1
InChIInChI=1S/C12H14N2O3/c1-7(10-4-2-3-5-13-10)14-11(15)8-6-9(8)12(16)17/h2-5,7-9H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGEXVJWGBJAXRAP-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 54918518) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID54918518
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1ccccn1
InChIInChI=1S/C12H14N2O3/c1-7(10-4-2-3-5-13-10)14-11(15)8-6-9(8)12(16)17/h2-5,7-9H,6H2,1H3,(H,14,15)(H,16,17)
InChIKeyGEXVJWGBJAXRAP-UHFFFAOYSA-N
XLogP0.98
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
2,2-dimethyl-3-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81399588
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
3-(1-pyridin-2-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030429
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
cis-(1S,2R)-2-methyl-N-[3-oxo-3-[[(1S)-1-pyridin-2-ylethyl]amino]propyl]cyclopropane-1-carboxamide
CID 51729582
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
3-amino-N-(1-pyridin-2-ylethyl)bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119830321
2-[1-(4-phenyl-1,3-thiazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184553

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 54918518) is 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is GEXVJWGBJAXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(10-4-2-3-5-13-10)14-11(15)8-6-9(8)12(16)17/h2-5,7-9H,6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54918518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).