ethyl 2-(prop-2-enoxycarbonylamino)pentanoate

C11H19NO4 — CID 91722481

IUPACethyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-4-7-9(10(13)15-6-3)12-11(14)16-8-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyWQPPQGMDMDHDOW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds7

About ethyl 2-(prop-2-enoxycarbonylamino)pentanoate

ethyl 2-(prop-2-enoxycarbonylamino)pentanoate (PubChem CID 91722481) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-(prop-2-enoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enoxycarbonylamino)pentanoate
PubChem CID91722481
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-(prop-2-enoxycarbonylamino)pentanoate
SMILESC=CCOC(=O)NC(CCC)C(=O)OCC
InChIInChI=1S/C11H19NO4/c1-4-7-9(10(13)15-6-3)12-11(14)16-8-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyWQPPQGMDMDHDOW-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

l-Norvaline, n-butoxycarbonyl-, ethyl ester
CID 91725972
methyl N-(5-ethenyl-2-oxooxolan-3-yl)carbamate
CID 336195
Allyloxycarbonyllysine
CID 13968714
Ethyl 4,4,4-trifluoro-2-(prop-2-enoxycarbonylamino)butanoate
CID 126536712
l-Alanine, N-allyloxycarbonyl-, nonyl ester
CID 6422694
l-Alanine, N-allyloxycarbonyl-, decyl ester
CID 6422695
2-Aminopent-4-enoic acid, N-vinyloxycarbonyl-, pentyl ester
CID 91691784
2-Aminopent-4-enoic acid, N-(but-2-yn-1-yloxycarbonyl)-, pentyl ester
CID 91692370
2-Aminopent-4-enoic acid, N-(but-3-en-1-yloxycarbonyl)-, pentyl ester
CID 91692711
l-Norvaline, N-ethoxycarbonyl-, ethyl ester
CID 91718573
l-Norvaline, N-ethoxycarbonyl-, butyl ester
CID 91718574
l-Norvaline, N-ethoxycarbonyl-, propyl ester
CID 91718575

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The IUPAC name of ethyl 2-(prop-2-enoxycarbonylamino)pentanoate (CID 91722481) is ethyl 2-(prop-2-enoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl 2-(prop-2-enoxycarbonylamino)pentanoate is C=CCOC(=O)NC(CCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enoxycarbonylamino)pentanoate?
The InChIKey is WQPPQGMDMDHDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-7-9(10(13)15-6-3)12-11(14)16-8-5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14).
What are the key properties of ethyl 2-(prop-2-enoxycarbonylamino)pentanoate?
ethyl 2-(prop-2-enoxycarbonylamino)pentanoate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enoxycarbonylamino)pentanoate is sourced from PubChem (CID 91722481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).