3-(cyclohex-2-en-1-ylamino)propanoic acid

C9H15NO2 — CID 114620369

IUPAC3-(cyclohex-2-en-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1C=CCCC1
InChIInChI=1S/C9H15NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h2,4,8,10H,1,3,5-7H2,(H,11,12)
InChIKeyLAISPYRGXBJWPJ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.16
Rot. Bonds4

About 3-(cyclohex-2-en-1-ylamino)propanoic acid

3-(cyclohex-2-en-1-ylamino)propanoic acid (PubChem CID 114620369) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(cyclohex-2-en-1-ylamino)propanoic acid.

Molecular Properties

Compound Name3-(cyclohex-2-en-1-ylamino)propanoic acid
PubChem CID114620369
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(cyclohex-2-en-1-ylamino)propanoic acid
SMILESO=C(O)CCNC1C=CCCC1
InChIInChI=1S/C9H15NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h2,4,8,10H,1,3,5-7H2,(H,11,12)
InChIKeyLAISPYRGXBJWPJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(cyclohex-2-en-1-ylamino)pentanamide
CID 106237404
N-tert-butyl-3-(cyclohex-2-en-1-ylamino)propanamide
CID 107907876
2-[2-(cyclohex-2-en-1-ylamino)ethoxy]acetamide
CID 106238210
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(3-methylsulfinylpropyl)cyclohex-2-en-1-amine
CID 107908089
N-propylcyclooct-2-en-1-amine
CID 123644376
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447
N-[2-(trifluoromethylsulfanyl)ethyl]cyclohex-2-en-1-amine
CID 106429467
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-2-en-1-ylamino)propanoic acid?
The IUPAC name of 3-(cyclohex-2-en-1-ylamino)propanoic acid (CID 114620369) is 3-(cyclohex-2-en-1-ylamino)propanoic acid.
What is the SMILES notation for 3-(cyclohex-2-en-1-ylamino)propanoic acid?
The canonical SMILES for 3-(cyclohex-2-en-1-ylamino)propanoic acid is O=C(O)CCNC1C=CCCC1.
What is the InChIKey of 3-(cyclohex-2-en-1-ylamino)propanoic acid?
The InChIKey is LAISPYRGXBJWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)6-7-10-8-4-2-1-3-5-8/h2,4,8,10H,1,3,5-7H2,(H,11,12).
What are the key properties of 3-(cyclohex-2-en-1-ylamino)propanoic acid?
3-(cyclohex-2-en-1-ylamino)propanoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-2-en-1-ylamino)propanoic acid is sourced from PubChem (CID 114620369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).