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

C14H26N2O4 — CID 62478843

IUPAC2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQOEWGRDYGWFSPO-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.74
Rot. Bonds7

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

2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid (PubChem CID 62478843) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
PubChem CID62478843
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid
SMILESCCC1CCCCC1NC(=O)NC(CCOC)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKeyQOEWGRDYGWFSPO-UHFFFAOYSA-N
XLogP1.74
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-4-methoxybutanoic acid
CID 64915037
4-methoxy-2-[(2-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 62472524
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105
2-(cyclohexylcarbamoylamino)-4-methoxybutanoic acid
CID 62478798
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
(2S)-2-[(2-aminocyclohexyl)carbamoylamino]pentanoic acid
CID 107566363
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]-3-methoxypropanoic acid
CID 81081091
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
(2R)-2-[(2-methoxycyclopentyl)carbamoylamino]pentanoic acid
CID 107566778
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
4-methoxy-2-[(3-methoxycyclopentyl)carbamoylamino]butanoic acid
CID 114118208
2-(2-cyclopentyloxyethylcarbamoylamino)-4-methoxybutanoic acid
CID 63833349

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid (CID 62478843) is 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid is CCC1CCCCC1NC(=O)NC(CCOC)C(=O)O.
What is the InChIKey of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid?
The InChIKey is QOEWGRDYGWFSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-10-6-4-5-7-11(10)15-14(19)16-12(13(17)18)8-9-20-2/h10-12H,3-9H2,1-2H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid?
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylcyclohexyl)carbamoylamino]-4-methoxybutanoic acid is sourced from PubChem (CID 62478843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).