ethyl 2-(prop-2-enoxycarbonylamino)propanoate

C9H15NO4 — CID 6422685

IUPACethyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-6-14-9(12)10-7(3)8(11)13-5-2/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyUHCFGBLEAMPLEF-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.85
Rot. Bonds5

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

ethyl 2-(prop-2-enoxycarbonylamino)propanoate (PubChem CID 6422685) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-(prop-2-enoxycarbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enoxycarbonylamino)propanoate
PubChem CID6422685
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-(prop-2-enoxycarbonylamino)propanoate
SMILESC=CCOC(=O)NC(C)C(=O)OCC
InChIInChI=1S/C9H15NO4/c1-4-6-14-9(12)10-7(3)8(11)13-5-2/h4,7H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyUHCFGBLEAMPLEF-UHFFFAOYSA-N
XLogP0.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.85
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 (2R)-2-(((tert-butoxy)carbonyl)amino)-3-sulfanylpropanoate
CID 90160712
l-Norvaline, N-allyloxycarbonyl-, ethyl ester
CID 91722481
(S)-3-Allyloxy-2-tert-butoxycarbonylamino-propionic acid methyl ester
CID 57846413
2-Acryloyloxyethyl urethane
CID 87964813
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
l-Norvaline, N-allyloxycarbonyl-, allyl ester
CID 91722394
l-Norvaline, N-allyloxycarbonyl-, isobutyl ester
CID 91722482
Allyloxycarbonyl-L-serine methyl ester
CID 7020795
Methyl (2S)-2-(prop-2-enoxycarbonylamino)propanoate
CID 10081156
Methyl 2-(prop-2-enoxycarbonylamino)propanoate
CID 22154835

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-enoxycarbonylamino)propanoate?
The IUPAC name of ethyl 2-(prop-2-enoxycarbonylamino)propanoate (CID 6422685) is ethyl 2-(prop-2-enoxycarbonylamino)propanoate.
What is the SMILES notation for ethyl 2-(prop-2-enoxycarbonylamino)propanoate?
The canonical SMILES for ethyl 2-(prop-2-enoxycarbonylamino)propanoate is C=CCOC(=O)NC(C)C(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enoxycarbonylamino)propanoate?
The InChIKey is UHCFGBLEAMPLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-6-14-9(12)10-7(3)8(11)13-5-2/h4,7H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of ethyl 2-(prop-2-enoxycarbonylamino)propanoate?
ethyl 2-(prop-2-enoxycarbonylamino)propanoate has a molecular weight of 201.22 g/mol, XLogP of 0.85, 5 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)propanoate is sourced from PubChem (CID 6422685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).