ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate

C13H23NO2 — CID 46200258

IUPACethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)NC1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-16-13(15)10-9-11(2)14-12-7-5-4-6-8-12/h9-12,14H,3-8H2,1-2H3/b10-9+/t11-/m1/s1
InChIKeyIJCOWKWXGHANKV-PBQZMEPESA-N
MW225.33 g/mol
LogP2.42
Rot. Bonds5

About ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate

ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate (PubChem CID 46200258) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
PubChem CID46200258
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)NC1CCCCC1
InChIInChI=1S/C13H23NO2/c1-3-16-13(15)10-9-11(2)14-12-7-5-4-6-8-12/h9-12,14H,3-8H2,1-2H3/b10-9+/t11-/m1/s1
InChIKeyIJCOWKWXGHANKV-PBQZMEPESA-N
XLogP2.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895
ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
ethyl (E,4S,5R)-4-bromo-5-cyclohexyl-5-hydroxypent-2-enoate
CID 102070633
ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate
CID 23592052
ethyl 3-(cyclohexylamino)-3-fluoro-2-methylpropanoate
CID 174680585
ethyl 2-(cyclopentylamino)-2-cyclopropylacetate
CID 61310564
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
ethyl 2-(cycloheptylamino)-4-methoxy-3-methylbutanoate
CID 116502070
ethyl 4-hydroxyhex-2-enoate
CID 568162
(2S)-2-(cyclohexylamino)propanal
CID 18666973
methyl 2-(cyclohexylamino)-3-ethylpentanoate
CID 61318514

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate?
The IUPAC name of ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate (CID 46200258) is ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate?
The canonical SMILES for ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate is CCOC(=O)/C=C/[C@@H](C)NC1CCCCC1.
What is the InChIKey of ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate?
The InChIKey is IJCOWKWXGHANKV-PBQZMEPESA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-16-13(15)10-9-11(2)14-12-7-5-4-6-8-12/h9-12,14H,3-8H2,1-2H3/b10-9+/t11-/m1/s1.
What are the key properties of ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate?
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate has a molecular weight of 225.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate is sourced from PubChem (CID 46200258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).