2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid

C15H25NO2 — CID 54893120

IUPAC2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid
SMILESO=C(O)C(NC1CCCCCC1)C1CC=CCC1
InChIInChI=1S/C15H25NO2/c17-15(18)14(12-8-4-3-5-9-12)16-13-10-6-1-2-7-11-13/h3-4,12-14,16H,1-2,5-11H2,(H,17,18)
InChIKeyZUHADNILNLYIBE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.11
Rot. Bonds4

About 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid

2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid (PubChem CID 54893120) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid.

Molecular Properties

Compound Name2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid
PubChem CID54893120
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid
SMILESO=C(O)C(NC1CCCCCC1)C1CC=CCC1
InChIInChI=1S/C15H25NO2/c17-15(18)14(12-8-4-3-5-9-12)16-13-10-6-1-2-7-11-13/h3-4,12-14,16H,1-2,5-11H2,(H,17,18)
InChIKeyZUHADNILNLYIBE-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.11
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

2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclohex-3-en-1-yl-2-(cyclohexylamino)acetonitrile
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CID 23158009
2-(cycloheptylamino)-2-(oxolan-3-yl)acetic acid
CID 54892838
(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
CID 68649857
2-(2-azidoethylamino)-2-cyclohex-3-en-1-ylacetic acid
CID 66190204
2-(3-azidopropylamino)-2-cyclohex-3-en-1-ylacetic acid
CID 66189904
2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049578
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
1-cyclohex-3-en-1-yl-3-cyclopentylurea
CID 115640218
1-cyclohex-3-en-1-yl-1-hydroxypropan-2-one
CID 130026688

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid?
The IUPAC name of 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid (CID 54893120) is 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid.
What is the SMILES notation for 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid?
The canonical SMILES for 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid is O=C(O)C(NC1CCCCCC1)C1CC=CCC1.
What is the InChIKey of 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid?
The InChIKey is ZUHADNILNLYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15(18)14(12-8-4-3-5-9-12)16-13-10-6-1-2-7-11-13/h3-4,12-14,16H,1-2,5-11H2,(H,17,18).
What are the key properties of 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid?
2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid has a molecular weight of 251.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-2-cyclohex-3-en-1-ylacetic acid is sourced from PubChem (CID 54893120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).