5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid

C15H26N2O3 — CID 107856038

IUPAC5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O3/c1-12(7-8-14(18)19)11-17-15(20)16-10-9-13-5-3-2-4-6-13/h5,12H,2-4,6-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBIWHOMUPEFDTQN-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.68
Rot. Bonds8

About 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid

5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid (PubChem CID 107856038) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
PubChem CID107856038
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C15H26N2O3/c1-12(7-8-14(18)19)11-17-15(20)16-10-9-13-5-3-2-4-6-13/h5,12H,2-4,6-11H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyBIWHOMUPEFDTQN-UHFFFAOYSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
1-[2-(cyclohexen-1-yl)ethyl]-3-(2-hydroxypentyl)urea
CID 111120763
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 64896000
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]-5-methylhexanoic acid
CID 106178353
3-[[2-(cyclopenten-1-yl)ethylcarbamoylamino]methyl]pentanoic acid
CID 114154444
5-[2-(cyclopenten-1-yl)ethylcarbamoylamino]-2-methylpentanoic acid
CID 106178518
(2S,3R)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 107855964
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylpentanoic acid
CID 16682053

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid (CID 107856038) is 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)NCCC1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid?
The InChIKey is BIWHOMUPEFDTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-12(7-8-14(18)19)11-17-15(20)16-10-9-13-5-3-2-4-6-13/h5,12H,2-4,6-11H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid?
5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid has a molecular weight of 282.38 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid is sourced from PubChem (CID 107856038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).