1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid

C13H22N2O3 — CID 107420021

IUPAC1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC1CNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-4-10(9)7-14-12(18)15-8-13(5-6-13)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQAACCHHFNSQLSV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.59
Rot. Bonds5

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

1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 107420021) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
PubChem CID107420021
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC1CNC(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-9-3-2-4-10(9)7-14-12(18)15-8-13(5-6-13)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeyQAACCHHFNSQLSV-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 107419976
4-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 107420020
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
1-[(cyclobutylmethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451238
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
1-[[(3-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 107414720
(2-methylcyclopentyl)methylurea
CID 107417745
1-tert-butyl-3-[(2-methylcyclopentyl)methyl]urea
CID 107417748
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
2-[[(1-ethylcyclopropyl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 114101428
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79851384

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid (CID 107420021) is 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid is CC1CCCC1CNC(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QAACCHHFNSQLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-3-2-4-10(9)7-14-12(18)15-8-13(5-6-13)11(16)17/h9-10H,2-8H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 107420021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).