ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate

C10H18N2O3 — CID 170418477

IUPACethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate
SMILESCCOC(=O)C/C(C(=O)NC)=C(\C)NC
InChIInChI=1S/C10H18N2O3/c1-5-15-9(13)6-8(7(2)11-3)10(14)12-4/h11H,5-6H2,1-4H3,(H,12,14)/b8-7-
InChIKeyUXUWQWPDJFTRQY-FPLPWBNLSA-N
MW214.26 g/mol
LogP0.18
Rot. Bonds5

About ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate

ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate (PubChem CID 170418477) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate
PubChem CID170418477
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate
SMILESCCOC(=O)C/C(C(=O)NC)=C(\C)NC
InChIInChI=1S/C10H18N2O3/c1-5-15-9(13)6-8(7(2)11-3)10(14)12-4/h11H,5-6H2,1-4H3,(H,12,14)/b8-7-
InChIKeyUXUWQWPDJFTRQY-FPLPWBNLSA-N
XLogP0.18
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate?
The IUPAC name of ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate (CID 170418477) is ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate.
What is the SMILES notation for ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate?
The canonical SMILES for ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate is CCOC(=O)C/C(C(=O)NC)=C(\C)NC.
What is the InChIKey of ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate?
The InChIKey is UXUWQWPDJFTRQY-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-15-9(13)6-8(7(2)11-3)10(14)12-4/h11H,5-6H2,1-4H3,(H,12,14)/b8-7-.
What are the key properties of ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate?
ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate has a molecular weight of 214.26 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-(methylamino)-3-(methylcarbamoyl)pent-3-enoate is sourced from PubChem (CID 170418477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).