4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid

C13H22N2O3 — CID 64896000

IUPAC4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c14-11(6-7-12(16)17)13(18)15-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,14H2,(H,15,18)(H,16,17)
InChIKeyWHVCARFAXQMIOZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.19
Rot. Bonds7

About 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid

4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 64896000) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
PubChem CID64896000
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
SMILESNC(CCC(=O)O)C(=O)NCCC1=CCCCC1
InChIInChI=1S/C13H22N2O3/c14-11(6-7-12(16)17)13(18)15-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,14H2,(H,15,18)(H,16,17)
InChIKeyWHVCARFAXQMIOZ-UHFFFAOYSA-N
XLogP1.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 107856038
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2R)-2-amino-N-[2-(cyclopenten-1-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106175266
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
1-[2-(cyclohexen-1-yl)ethyl]-3-(3-methylbutyl)urea
CID 110299684
4-amino-5-[2-(4-chlorophenyl)ethylamino]-5-oxopentanoic acid
CID 64890887
(2S)-4-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-hydroxybutanoic acid
CID 107855990
4-[2-(cyclohexen-1-yl)ethylamino]butanoic acid
CID 62324339
2-amino-3-[2-(cyclohexen-1-yl)ethylamino]propanamide
CID 103247876
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
3-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-3-methylbutanoic acid
CID 107856010

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid (CID 64896000) is 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid is NC(CCC(=O)O)C(=O)NCCC1=CCCCC1.
What is the InChIKey of 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is WHVCARFAXQMIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c14-11(6-7-12(16)17)13(18)15-9-8-10-4-2-1-3-5-10/h4,11H,1-3,5-9,14H2,(H,15,18)(H,16,17).
What are the key properties of 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid?
4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64896000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).