5-(cyclohexylamino)-2-methylpent-2-enoic acid

C12H21NO2 — CID 56999390

IUPAC5-(cyclohexylamino)-2-methylpent-2-enoic acid
SMILESCC(=CCCNC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-10(12(14)15)6-5-9-13-11-7-3-2-4-8-11/h6,11,13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyPVRSNHITHSDINY-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.33
Rot. Bonds5

About 5-(cyclohexylamino)-2-methylpent-2-enoic acid

5-(cyclohexylamino)-2-methylpent-2-enoic acid (PubChem CID 56999390) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-methylpent-2-enoic acid
PubChem CID56999390
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name5-(cyclohexylamino)-2-methylpent-2-enoic acid
SMILESCC(=CCCNC1CCCCC1)C(=O)O
InChIInChI=1S/C12H21NO2/c1-10(12(14)15)6-5-9-13-11-7-3-2-4-8-11/h6,11,13H,2-5,7-9H2,1H3,(H,14,15)
InChIKeyPVRSNHITHSDINY-UHFFFAOYSA-N
XLogP2.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860455
2-Ethyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid;hydrochloride
CID 49860456
(E)-2-[2-(cyclohexylamino)-2-oxoethyl]-4,4-dimethylpent-2-enoic acid
CID 176431071
6-Ethyl-1,2,5,6-tetrahydropyridine-3-carboxylic acid
CID 15696615
2-Propyl-1,2,3,6-tetrahydropyridine-5-carboxylic acid
CID 15696616
Isometheptene Maleate
CID 71749572
(E)-5-(cyclohexylamino)-2-methyl-5-oxopent-2-enoic acid
CID 101418630
(E)-4-(butylamino)-2-methylpent-2-enoic acid
CID 17962500
(E)-5-(tert-butylamino)-2-methylpent-2-enoic acid
CID 18650434
(E)-4-(tert-butylamino)-2-methylpent-2-enoic acid
CID 18679977
(E)-5-(ethylamino)-2-methylpent-2-enoic acid
CID 23065070
(E)-2-methyl-6-(propylamino)hex-2-enoic acid
CID 23065086

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 5-(cyclohexylamino)-2-methylpent-2-enoic acid (CID 56999390) is 5-(cyclohexylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(cyclohexylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(cyclohexylamino)-2-methylpent-2-enoic acid is CC(=CCCNC1CCCCC1)C(=O)O.
What is the InChIKey of 5-(cyclohexylamino)-2-methylpent-2-enoic acid?
The InChIKey is PVRSNHITHSDINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(12(14)15)6-5-9-13-11-7-3-2-4-8-11/h6,11,13H,2-5,7-9H2,1H3,(H,14,15).
What are the key properties of 5-(cyclohexylamino)-2-methylpent-2-enoic acid?
5-(cyclohexylamino)-2-methylpent-2-enoic acid has a molecular weight of 211.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 56999390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).