ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate

C14H23NO4 — CID 123977620

IUPACethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate
SMILESCCOC(=O)C(NC=O)=C(C)CC(OCC)C1CC1
InChIInChI=1S/C14H23NO4/c1-4-18-12(11-6-7-11)8-10(3)13(15-9-16)14(17)19-5-2/h9,11-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyMXWDDRYHZRHSFJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.77
Rot. Bonds9

About ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate

ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate (PubChem CID 123977620) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate
PubChem CID123977620
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nameethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate
SMILESCCOC(=O)C(NC=O)=C(C)CC(OCC)C1CC1
InChIInChI=1S/C14H23NO4/c1-4-18-12(11-6-7-11)8-10(3)13(15-9-16)14(17)19-5-2/h9,11-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyMXWDDRYHZRHSFJ-UHFFFAOYSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2Z,4E)-2-formamido-5-methoxy-3-(trifluoromethyl)hexa-2,4-dienoate
CID 71501565
ethyl 3,3-diformamido-2-methylprop-2-enoate
CID 87660528
2-cyclopropyl-2-ethoxyethanol
CID 126970888
ethyl 3-bromo-2-formamido-3-phenylprop-2-enoate
CID 86631799
2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 130591131
ethyl 2-formamido-3-hydroxy-3-(4-methylcyclohexyl)propanoate
CID 66204905
ethyl 2-[(2,2-dicyclopropylethylamino)methyl]prop-2-enoate
CID 103254926
ethyl 3-cyclopropylbutanoate
CID 47078610
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
ethyl 2-(diformamidomethyl)prop-2-enoate
CID 23020082
ethyl 2-cycloheptyl-2-formamidoacetate
CID 163197902
1,2-bis(4-aminocyclohexyl)ethyl acetate
CID 175320466

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate?
The IUPAC name of ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate (CID 123977620) is ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate.
What is the SMILES notation for ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate?
The canonical SMILES for ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate is CCOC(=O)C(NC=O)=C(C)CC(OCC)C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate?
The InChIKey is MXWDDRYHZRHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-4-18-12(11-6-7-11)8-10(3)13(15-9-16)14(17)19-5-2/h9,11-12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate?
ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 1.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-5-ethoxy-2-formamido-3-methylpent-2-enoate is sourced from PubChem (CID 123977620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).