3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid

C14H26N2O3 — CID 55209464

IUPAC3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-4-16(10-9-13(17)18)14(19)15(3)12-8-6-5-7-11(12)2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyYOORBBJDYIGTFE-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.41
Rot. Bonds5

About 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid

3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid (PubChem CID 55209464) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
PubChem CID55209464
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(C)C1CCCCC1C
InChIInChI=1S/C14H26N2O3/c1-4-16(10-9-13(17)18)14(19)15(3)12-8-6-5-7-11(12)2/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyYOORBBJDYIGTFE-UHFFFAOYSA-N
XLogP2.41
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[cyclopentyl(methyl)carbamoyl]-ethylamino]propanoic acid
CID 61194349
3-[ethyl-[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]propanoic acid
CID 61191817
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
3-[ethyl-[methyl-(1-methylpiperidin-3-yl)carbamoyl]amino]propanoic acid
CID 62547194
N-methyl-N-(2-methylcyclohexyl)propanamide
CID 60735521
3-[[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]-ethylamino]propanoic acid
CID 61204866
3-[cyclopropyl-(2-methylcyclopentyl)amino]propanoic acid
CID 65059247
5-[[methyl-(2-methylcyclohexyl)carbamoyl]amino]hexanoic acid
CID 82848337
3-[cyclopropyl(diethylcarbamoyl)amino]propanoic acid
CID 61186595
3-[(2-amino-2-oxoethyl)-(2-methylcyclohexyl)amino]propanoic acid
CID 82326771
3-(ethylamino)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 62835112
2-[ethyl-(2-methylcyclohexyl)amino]acetic acid
CID 65063082

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid (CID 55209464) is 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(C)C1CCCCC1C.
What is the InChIKey of 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid?
The InChIKey is YOORBBJDYIGTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-16(10-9-13(17)18)14(19)15(3)12-8-6-5-7-11(12)2/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[methyl-(2-methylcyclohexyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55209464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).