2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

C12H14N2O3 — CID 54918472

IUPAC2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1cccnc1
InChIInChI=1S/C12H14N2O3/c1-7(8-3-2-4-13-6-8)14-11(15)9-5-10(9)12(16)17/h2-4,6-7,9-10H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyRIUTTYXWAXODPE-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.98
Rot. Bonds4

About 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid

2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (PubChem CID 54918472) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
PubChem CID54918472
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
SMILESCC(NC(=O)C1CC1C(=O)O)c1cccnc1
InChIInChI=1S/C12H14N2O3/c1-7(8-3-2-4-13-6-8)14-11(15)9-5-10(9)12(16)17/h2-4,6-7,9-10H,5H2,1H3,(H,14,15)(H,16,17)
InChIKeyRIUTTYXWAXODPE-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

4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868050
3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404734
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
cis-(1R,2S)-2-[[(1S)-1-(3-pyrazol-1-ylphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119060

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid (CID 54918472) is 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is CC(NC(=O)C1CC1C(=O)O)c1cccnc1.
What is the InChIKey of 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
The InChIKey is RIUTTYXWAXODPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(8-3-2-4-13-6-8)14-11(15)9-5-10(9)12(16)17/h2-4,6-7,9-10H,5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid?
2-(1-pyridin-3-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-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54918472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).