3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid

C15H28N2O3 — CID 62826284

IUPAC3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)NC(C)C1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-17(11(2)10-14(18)19)15(20)16-12(3)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDQGSQDAETWKZEI-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds6

About 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid

3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid (PubChem CID 62826284) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
PubChem CID62826284
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid
SMILESCCN(C(=O)NC(C)C1CCCCC1)C(C)CC(=O)O
InChIInChI=1S/C15H28N2O3/c1-4-17(11(2)10-14(18)19)15(20)16-12(3)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDQGSQDAETWKZEI-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-cyclohexylethylcarbamoyl(propan-2-yl)amino]acetic acid
CID 62406177
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
2-[butan-2-yl(1-cyclopropylethylcarbamoyl)amino]acetic acid
CID 61197936
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
3-[[(1R)-1-cyclohexylethyl]amino]butanoic acid
CID 81385050
4-[[(1S)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81388914
4-[[(1R)-1-cycloheptylethyl]amino]-4-oxobutanoic acid
CID 81390074
6-(1-cyclohexylethylamino)-6-oxohexanoic acid
CID 62405389
5-[[(1S)-1-cycloheptylethyl]amino]-5-oxopentanoic acid
CID 81391268
3-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]butanoic acid
CID 62825560
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid?
The IUPAC name of 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid (CID 62826284) is 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid.
What is the SMILES notation for 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid?
The canonical SMILES for 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid is CCN(C(=O)NC(C)C1CCCCC1)C(C)CC(=O)O.
What is the InChIKey of 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid?
The InChIKey is DQGSQDAETWKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-17(11(2)10-14(18)19)15(20)16-12(3)13-8-6-5-7-9-13/h11-13H,4-10H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid?
3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclohexylethylcarbamoyl(ethyl)amino]butanoic acid is sourced from PubChem (CID 62826284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).