2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid

C14H26N2O4 — CID 62479902

IUPAC2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(C(=O)NC(CCOC)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHWKYMDCFCMSFCE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.84
Rot. Bonds7

About 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid

2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid (PubChem CID 62479902) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid
PubChem CID62479902
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid
SMILESCCN(C(=O)NC(CCOC)C(=O)O)C1CCCCC1
InChIInChI=1S/C14H26N2O4/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHWKYMDCFCMSFCE-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid (CID 62479902) is 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid is CCN(C(=O)NC(CCOC)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid?
The InChIKey is HWKYMDCFCMSFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-16(11-7-5-4-6-8-11)14(19)15-12(13(17)18)9-10-20-2/h11-12H,3-10H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid?
2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohexyl(ethyl)carbamoyl]amino]-4-methoxybutanoic acid is sourced from PubChem (CID 62479902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).