ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate

C9H16N2O3 — CID 23592052

IUPACethyl (E)-4-(methylcarbamoylamino)pent-2-enoate
SMILESCCOC(=O)/C=C/C(C)NC(=O)NC
InChIInChI=1S/C9H16N2O3/c1-4-14-8(12)6-5-7(2)11-9(13)10-3/h5-7H,4H2,1-3H3,(H2,10,11,13)/b6-5+
InChIKeyODYHUHAXJORYJT-AATRIKPKSA-N
MW200.24 g/mol
LogP0.42
Rot. Bonds4

About ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate

ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate (PubChem CID 23592052) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-4-(methylcarbamoylamino)pent-2-enoate
PubChem CID23592052
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nameethyl (E)-4-(methylcarbamoylamino)pent-2-enoate
SMILESCCOC(=O)/C=C/C(C)NC(=O)NC
InChIInChI=1S/C9H16N2O3/c1-4-14-8(12)6-5-7(2)11-9(13)10-3/h5-7H,4H2,1-3H3,(H2,10,11,13)/b6-5+
InChIKeyODYHUHAXJORYJT-AATRIKPKSA-N
XLogP0.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10243501
ethyl (E,4R)-4-(cyclohexylamino)pent-2-enoate
CID 46200258
ethyl 4-(cyclohexylamino)pent-2-enoate
CID 75145895
ethyl (E)-4-(cyclohexylamino)pent-2-enoate
CID 131740586
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl (Z)-4,4-diethoxybut-2-enoate
CID 5355975
ethyl 4-hydroxyhex-2-enoate
CID 568162
ethyl 4-bromohex-2-enoate
CID 54551136
ethyl (E)-4-bromohex-2-enoate
CID 15382776
ethyl (E,4S)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 10084564
diethyl (Z)-but-2-enedioate;ethanol
CID 161113311

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate?
The IUPAC name of ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate (CID 23592052) is ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate.
What is the SMILES notation for ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate?
The canonical SMILES for ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate is CCOC(=O)/C=C/C(C)NC(=O)NC.
What is the InChIKey of ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate?
The InChIKey is ODYHUHAXJORYJT-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-4-14-8(12)6-5-7(2)11-9(13)10-3/h5-7H,4H2,1-3H3,(H2,10,11,13)/b6-5+.
What are the key properties of ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate?
ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate has a molecular weight of 200.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4-(methylcarbamoylamino)pent-2-enoate is sourced from PubChem (CID 23592052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).