2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid

C15H26N2O3 — CID 114548722

IUPAC2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
SMILESCC1CCC(NC(=O)NC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-5-6-12(9-11)16-14(20)17-15(10-13(18)19)7-3-2-4-8-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUSYPDLKAHMBTKR-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.65
Rot. Bonds4

About 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid

2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid (PubChem CID 114548722) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
PubChem CID114548722
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid
SMILESCC1CCC(NC(=O)NC2(CC(=O)O)CCCCC2)C1
InChIInChI=1S/C15H26N2O3/c1-11-5-6-12(9-11)16-14(20)17-15(10-13(18)19)7-3-2-4-8-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyUSYPDLKAHMBTKR-UHFFFAOYSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[1-(cyclobutylcarbamoylamino)cyclobutyl]acetic acid
CID 79851699
1-[(3-methylcyclopentyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 114548885
2-[1-[(4-hydroxycyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845890
2-[1-[(1-methylpyrrolidin-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 64699503
2-[1-[(2-methyloxolan-3-yl)carbamoylamino]cyclopentyl]acetic acid
CID 82729085
2-[1-[(1,1-dioxothiolan-3-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79845778
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
2-[1-(cyclooctanecarbonylamino)cyclohexyl]acetic acid
CID 65019610
2-[1-[[2-(methylamino)acetyl]amino]cyclohexyl]acetic acid
CID 64684909

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid (CID 114548722) is 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid is CC1CCC(NC(=O)NC2(CC(=O)O)CCCCC2)C1.
What is the InChIKey of 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid?
The InChIKey is USYPDLKAHMBTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-5-6-12(9-11)16-14(20)17-15(10-13(18)19)7-3-2-4-8-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid?
2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylcyclopentyl)carbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 114548722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).