1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid

C14H26N2O3 — CID 61294281

IUPAC1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCCN(CC)C(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26N2O3/c1-4-9-16(5-2)13(19)15-14(12(17)18)8-6-7-11(3)10-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFUBLFIZHUQUWGS-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

About 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid

1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid (PubChem CID 61294281) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
PubChem CID61294281
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
SMILESCCCN(CC)C(=O)NC1(C(=O)O)CCCC(C)C1
InChIInChI=1S/C14H26N2O3/c1-4-9-16(5-2)13(19)15-14(12(17)18)8-6-7-11(3)10-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyFUBLFIZHUQUWGS-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[ethyl(propyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61195465
1-[[butyl(cyclopropyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 61443998
1-(butanoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61289591
1-[[cyclobutylmethyl(methyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 62856425
3-methyl-1-[[methyl(2-methylpropyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61294474
1-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclobutane-1-carboxylic acid
CID 81163295
1-(diethylsulfamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 61292019
3-methyl-1-[[methyl(phenyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61290337
1-(hexan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 62199336
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
1-[[2-(ethylamino)-2-methylpropanoyl]amino]-3-methylcyclohexane-1-carboxylic acid
CID 55121392
3-methyl-1-(pentan-3-ylamino)cyclohexane-1-carboxylic acid
CID 78969315

Frequently Asked Questions

What is the IUPAC name of 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid (CID 61294281) is 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid is CCCN(CC)C(=O)NC1(C(=O)O)CCCC(C)C1.
What is the InChIKey of 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
The InChIKey is FUBLFIZHUQUWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-9-16(5-2)13(19)15-14(12(17)18)8-6-7-11(3)10-14/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid?
1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[ethyl(propyl)carbamoyl]amino]-3-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 61294281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).