2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C12H19NO3 — CID 107416685

IUPAC2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC1CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7-3-2-4-8(7)6-13-11(14)9-5-10(9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPIBKZZSQFBUDBI-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.26
Rot. Bonds4

About 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 107416685) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID107416685
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC1CNC(=O)C1CC1C(=O)O
InChIInChI=1S/C12H19NO3/c1-7-3-2-4-8(7)6-13-11(14)9-5-10(9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16)
InChIKeyPIBKZZSQFBUDBI-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
(2-methylcyclopentyl)methylurea
CID 107417745
4-amino-2-methyl-N-[(2-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 55116865
2-[(4-hydroxycyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106120411
2-[[2-(hydroxymethyl)cyclopentyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 113361137
N-[(2-aminocyclohexyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 64928230
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
N-(2-aminoethyl)-N'-[(2-methylcyclopentyl)methyl]oxamide
CID 107416399
4-amino-N-[(2-methylcyclohexyl)methyl]oxolane-3-carboxamide
CID 66237085
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 107416685) is 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is CC1CCCC1CNC(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is PIBKZZSQFBUDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7-3-2-4-8(7)6-13-11(14)9-5-10(9)12(15)16/h7-10H,2-6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107416685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).