(cyclohexylamino) 2-methylpent-2-enoate

C12H21NO2 — CID 174632655

IUPAC(cyclohexylamino) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ONC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-3-7-10(2)12(14)15-13-11-8-5-4-6-9-11/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyNACYCJWNJVTGNV-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.72
Rot. Bonds4

About (cyclohexylamino) 2-methylpent-2-enoate

(cyclohexylamino) 2-methylpent-2-enoate (PubChem CID 174632655) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (cyclohexylamino) 2-methylpent-2-enoate.

Molecular Properties

Compound Name(cyclohexylamino) 2-methylpent-2-enoate
PubChem CID174632655
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(cyclohexylamino) 2-methylpent-2-enoate
SMILESCCC=C(C)C(=O)ONC1CCCCC1
InChIInChI=1S/C12H21NO2/c1-3-7-10(2)12(14)15-13-11-8-5-4-6-9-11/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyNACYCJWNJVTGNV-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)oxy-2-oxoacetic acid
CID 174869598
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
(cyclopentylamino) pentanoate
CID 175087443
(cyclopentylamino) hydrogen carbonate
CID 150964345
bis(cyclohexylamino) 3-methylidenepentanedioate
CID 154089481
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
(E)-N-(4-hydroxycyclohexyl)-2-methylpent-2-enamide
CID 43508881
ethyl (E)-2-methylpent-2-enoate
CID 6436311
2-[[(E)-2-methylpent-2-enoyl]amino]cyclohexane-1-carboxamide
CID 132969236
hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
N-(azetidin-3-yl)-2-methylpent-2-enamide
CID 77114451
methyl 4-[cyclohexyl(methyl)amino]-2-methylbut-2-enoate
CID 77076301

Frequently Asked Questions

What is the IUPAC name of (cyclohexylamino) 2-methylpent-2-enoate?
The IUPAC name of (cyclohexylamino) 2-methylpent-2-enoate (CID 174632655) is (cyclohexylamino) 2-methylpent-2-enoate.
What is the SMILES notation for (cyclohexylamino) 2-methylpent-2-enoate?
The canonical SMILES for (cyclohexylamino) 2-methylpent-2-enoate is CCC=C(C)C(=O)ONC1CCCCC1.
What is the InChIKey of (cyclohexylamino) 2-methylpent-2-enoate?
The InChIKey is NACYCJWNJVTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-7-10(2)12(14)15-13-11-8-5-4-6-9-11/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of (cyclohexylamino) 2-methylpent-2-enoate?
(cyclohexylamino) 2-methylpent-2-enoate has a molecular weight of 211.30 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylamino) 2-methylpent-2-enoate is sourced from PubChem (CID 174632655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).