2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid

C15H26N2O3 — CID 79851384

IUPAC2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC1CCCCC1CNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H26N2O3/c1-11-5-2-3-6-12(11)10-16-14(20)17-15(7-4-8-15)9-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAGCSRGMORBDHPS-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds5

About 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid

2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid (PubChem CID 79851384) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
PubChem CID79851384
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid
SMILESCC1CCCCC1CNC(=O)NC1(CC(=O)O)CCC1
InChIInChI=1S/C15H26N2O3/c1-11-5-2-3-6-12(11)10-16-14(20)17-15(7-4-8-15)9-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyAGCSRGMORBDHPS-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
1-[(2-methylcyclohexyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62096800
2-[1-[(1-ethylpiperidin-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79842476
2-[1-(cyclohex-3-en-1-ylmethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851850
2-[1-[(4-methylcyclohexyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845568
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[1-(2-methylprop-2-enylcarbamoylamino)cyclobutyl]acetic acid
CID 114617990
2-[1-(methylamino)cyclohexyl]-N-[(2-methylcyclopentyl)methyl]acetamide
CID 107418498
2-[1-(1-cyclohexylethylcarbamoylamino)cyclobutyl]acetic acid
CID 79851852
1-[[(2-methylcyclopentyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 107420021

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid (CID 79851384) is 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid is CC1CCCCC1CNC(=O)NC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid?
The InChIKey is AGCSRGMORBDHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11-5-2-3-6-12(11)10-16-14(20)17-15(7-4-8-15)9-13(18)19/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid?
2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]acetic acid is sourced from PubChem (CID 79851384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).