ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate

C12H20N2O3 — CID 10857595

IUPACethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate
SMILESC=CCCC(NC(=O)NCC=C)C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-4-7-8-10(11(15)17-6-3)14-12(16)13-9-5-2/h4-5,10H,1-2,6-9H2,3H3,(H2,13,14,16)
InChIKeyGWXIXMDHVHNNBE-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.37
Rot. Bonds8

About ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate

ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate (PubChem CID 10857595) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate
PubChem CID10857595
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Nameethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate
SMILESC=CCCC(NC(=O)NCC=C)C(=O)OCC
InChIInChI=1S/C12H20N2O3/c1-4-7-8-10(11(15)17-6-3)14-12(16)13-9-5-2/h4-5,10H,1-2,6-9H2,3H3,(H2,13,14,16)
InChIKeyGWXIXMDHVHNNBE-UHFFFAOYSA-N
XLogP1.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-methyl-2-(prop-2-enylcarbamoylamino)butanoate
CID 74225357
methyl (2S)-2-(methylcarbamoylamino)hex-5-enoate
CID 134251298
ethyl 2-aminohex-5-enoate;hydrochloride
CID 162341778
ethyl (5R)-2,5-dimethylnon-8-enoate
CID 89376277
(2S)-4-methoxy-4-oxo-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 63307007
methyl 3-[(2-methylpropan-2-yl)oxy]-2-(prop-2-enylcarbamoylamino)propanoate
CID 4204342
ethyl (3R)-2,3-dihydroxyhept-6-enoate
CID 87766158
(2R)-4-methylsulfanyl-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 40640546
2-(prop-2-enylcarbamoylamino)propanediamide
CID 36507216
ethyl 2-(1-hydroxyethyl)hex-5-enoate
CID 76532032
methyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]hex-5-enoate
CID 90161899
ethyl N-[(2R)-2-hydroxyhex-5-enyl]carbamate
CID 90216301

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate?
The IUPAC name of ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate (CID 10857595) is ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate.
What is the SMILES notation for ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate?
The canonical SMILES for ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate is C=CCCC(NC(=O)NCC=C)C(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate?
The InChIKey is GWXIXMDHVHNNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-7-8-10(11(15)17-6-3)14-12(16)13-9-5-2/h4-5,10H,1-2,6-9H2,3H3,(H2,13,14,16).
What are the key properties of ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate?
ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate has a molecular weight of 240.30 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enylcarbamoylamino)hex-5-enoate is sourced from PubChem (CID 10857595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).