2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid

C15H28N2O3 — CID 61468105

IUPAC2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-11-7-5-6-8-12(11)16-15(20)17-13(14(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyMGLZUALBOVLZEM-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.75
Rot. Bonds6

About 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid

2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid (PubChem CID 61468105) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
PubChem CID61468105
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-11-7-5-6-8-12(11)16-15(20)17-13(14(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyMGLZUALBOVLZEM-UHFFFAOYSA-N
XLogP2.75
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-hydroxycyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 62360744
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
4-methyl-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 55172631
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
CID 62478843
(2R)-2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62413842
2-(cyclobutylcarbamoylamino)-4-methylpentanoic acid
CID 62414420
(2R)-4-methyl-2-[(4-propylcyclohexyl)carbamoylamino]pentanoic acid
CID 78976074
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
(2R)-2-(1-cyclohexylpropylcarbamoylamino)-4-methylpentanoic acid
CID 78989662
(2S)-4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)pentanoic acid
CID 80719419
4-methyl-2-(oxan-4-ylcarbamoylamino)pentanoic acid
CID 61202405
methyl (2S)-4-methyl-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]pentanoate
CID 939585

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid (CID 61468105) is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid is CCC1CCCCC1NC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
The InChIKey is MGLZUALBOVLZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-11-7-5-6-8-12(11)16-15(20)17-13(14(18)19)9-10(2)3/h10-13H,4-9H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid?
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 61468105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).