1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

C15H26N2O3 — CID 115446550

IUPAC1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-11-4-6-12(7-5-11)17-14(20)16-10-15(13(18)19)8-3-9-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGEONHIMNFDFFE-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.51
Rot. Bonds5

About 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446550) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID115446550
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)NCC2(C(=O)O)CCC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-11-4-6-12(7-5-11)17-14(20)16-10-15(13(18)19)8-3-9-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyOGEONHIMNFDFFE-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

Analyze 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(3,5-dimethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446882
1-[2-[(4-ethylcyclohexyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61467269
1-cyclopropyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 115590484
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[[2-(4-methylcyclohexyl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446860
1-cyclopentyl-3-[(4-ethylcyclohexyl)methyl]urea
CID 113226526
1-[[(1-ethylpiperidin-3-yl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451388
1-[[(6-oxopiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434341
1-butyl-3-(4-ethylcyclohexyl)urea
CID 78894754
1-[(2-cyclopropylethylcarbamoylamino)methyl]cycloheptane-1-carboxylic acid
CID 115444820
1-(4-ethylcyclohexyl)-3-(2,2,2-trifluoroethyl)urea
CID 113225883
1-cyclopropyl-3-[[1-(methylaminomethyl)cyclobutyl]methyl]urea
CID 115267566

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 115446550) is 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is CCC1CCC(NC(=O)NCC2(C(=O)O)CCC2)CC1.
What is the InChIKey of 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is OGEONHIMNFDFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-11-4-6-12(7-5-11)17-14(20)16-10-15(13(18)19)8-3-9-15/h11-12H,2-10H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic 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 1-[[(4-ethylcyclohexyl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).