2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid

C16H28N2O3 — CID 64686653

IUPAC2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
SMILESCC1(NC(=O)NCC2(CC(=O)O)CCCCC2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-15(7-5-6-8-15)18-14(21)17-12-16(11-13(19)20)9-3-2-4-10-16/h2-12H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyAZFJVGPDEZNRIH-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.04
Rot. Bonds5

About 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid

2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid (PubChem CID 64686653) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
PubChem CID64686653
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid
SMILESCC1(NC(=O)NCC2(CC(=O)O)CCCCC2)CCCC1
InChIInChI=1S/C16H28N2O3/c1-15(7-5-6-8-15)18-14(21)17-12-16(11-13(19)20)9-3-2-4-10-16/h2-12H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyAZFJVGPDEZNRIH-UHFFFAOYSA-N
XLogP3.04
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[2-[(1-methylcyclobutyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 113485316
2-[1-[(dimethylaminocarbamoylamino)methyl]cyclobutyl]acetic acid
CID 83019357
2-[1-[(2-methoxypropanoylamino)methyl]cyclohexyl]acetic acid
CID 113354338
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(3-methylsulfanylpropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63959204
2-[1-[(2-methoxypropylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 102699640
2-[1-[[(2-sulfanylacetyl)amino]methyl]cyclohexyl]acetic acid
CID 90392290
2,2-dimethyl-3-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 115428682
2-[1-[(dimethylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164855
2-[1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 114818940

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid (CID 64686653) is 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid is CC1(NC(=O)NCC2(CC(=O)O)CCCCC2)CCCC1.
What is the InChIKey of 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid?
The InChIKey is AZFJVGPDEZNRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(7-5-6-8-15)18-14(21)17-12-16(11-13(19)20)9-3-2-4-10-16/h2-12H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid?
2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid has a molecular weight of 296.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1-methylcyclopentyl)carbamoylamino]methyl]cyclohexyl]acetic acid is sourced from PubChem (CID 64686653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).