4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

C15H20N2O3 — CID 104919786

IUPAC4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N[C@@H](C)c2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c1-9-6-12(13(7-9)15(19)20)14(18)17-10(2)11-4-3-5-16-8-11/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,17,18)(H,19,20)/t9?,10-,12?,13?/m0/s1
InChIKeyYBKVLDOQXDDADZ-GFWJOYCYSA-N
MW276.34 g/mol
LogP2.01
Rot. Bonds4

About 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid

4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 104919786) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID104919786
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)N[C@@H](C)c2cccnc2)C1
InChIInChI=1S/C15H20N2O3/c1-9-6-12(13(7-9)15(19)20)14(18)17-10(2)11-4-3-5-16-8-11/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,17,18)(H,19,20)/t9?,10-,12?,13?/m0/s1
InChIKeyYBKVLDOQXDDADZ-GFWJOYCYSA-N
XLogP2.01
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
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
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
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868050
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
2-[(2-hydroxy-1-phenylethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 104919786) is 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)N[C@@H](C)c2cccnc2)C1.
What is the InChIKey of 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YBKVLDOQXDDADZ-GFWJOYCYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-9-6-12(13(7-9)15(19)20)14(18)17-10(2)11-4-3-5-16-8-11/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,17,18)(H,19,20)/t9?,10-,12?,13?/m0/s1.
What are the key properties of 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid?
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 104919786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).