prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate

C10H15NO4 — CID 91691278

IUPACprop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)CCNC(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-4H,1-2,5-8H2,(H,11,13)
InChIKeyZLTGULSGHUHBNZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.02
Rot. Bonds7

About prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate

prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 91691278) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate
PubChem CID91691278
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameprop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)CCNC(=O)OCC=C
InChIInChI=1S/C10H15NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-4H,1-2,5-8H2,(H,11,13)
InChIKeyZLTGULSGHUHBNZ-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.02
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

Prop-2-en-1-yl (3-oxopropyl)carbamate
CID 24798874
beta-Alanine, N-allyloxycarbonyl-, hexyl ester
CID 91691234
beta-Alanine, N-allyloxycarbonyl-, heptyl ester
CID 91691251
2-Fluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid
CID 165907043
(2S)-2-fluoro-3-{[(prop-2-en-1-yloxy)carbonyl]amino}propanoic acid
CID 165943236
[(E)-but-2-enyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 14604755
But-3-en-2-yl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 129986893
methyl (3S)-3-{[(allyloxy)carbonyl]amino}butanoate
CID 11435600
Prop-2-enyl 3-acetamidopropanoate
CID 14711262
3-(Methoxycarbonylamino)propyl prop-2-enoate
CID 15208799
N-(allyloxycarbonyl)-3-aminopropionic acid
CID 15381099
Boc-L-beta-homoalanine allyl ester
CID 16216982

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate (CID 91691278) is prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)CCNC(=O)OCC=C.
What is the InChIKey of prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is ZLTGULSGHUHBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-7-14-9(12)5-6-11-10(13)15-8-4-2/h3-4H,1-2,5-8H2,(H,11,13).
What are the key properties of prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate?
prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 213.23 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(prop-2-enoxycarbonylamino)propanoate is sourced from PubChem (CID 91691278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).