ethyl 2-(prop-2-enylamino)acetate

C7H13NO2 — CID 10975597

IUPACethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-6-7(9)10-4-2/h3,8H,1,4-6H2,2H3
InChIKeyJZXVIASGAMNRDD-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.33
Rot. Bonds5

About ethyl 2-(prop-2-enylamino)acetate

ethyl 2-(prop-2-enylamino)acetate (PubChem CID 10975597) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(prop-2-enylamino)acetate
PubChem CID10975597
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-6-7(9)10-4-2/h3,8H,1,4-6H2,2H3
InChIKeyJZXVIASGAMNRDD-UHFFFAOYSA-N
XLogP0.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 36690796
CID 36690796
Tert-butyl 2-[(prop-2-en-1-yl)amino]acetate
CID 19959470
Methyl 2-[(prop-2-en-1-yl)amino]acetate
CID 13454969
N-allylsarcosine ethyl ester
CID 21403446
N-acryloylglycine ethyl ester
CID 21721258
Acetic acid, 2-oxo-2-(2-propen-1-ylamino)-, ethyl ester
CID 6420265
Oxalic acid, monoamide, N-allyl-, propyl ester
CID 6420266
Prop-2-enyl 2-(ethylamino)acetate
CID 4577937
Ethyl 2-(pent-4-enylamino)acetate
CID 10878349
Ethyl 2-(2-methylprop-2-enylamino)acetate
CID 11332603
2-Methyl-N-(2-propenyl)alanine methyl ester
CID 12096492
Ethyl 2-(prop-2-enylamino)propanoate
CID 13326681

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(prop-2-enylamino)acetate?
The IUPAC name of ethyl 2-(prop-2-enylamino)acetate (CID 10975597) is ethyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for ethyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for ethyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(prop-2-enylamino)acetate?
The InChIKey is JZXVIASGAMNRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8-6-7(9)10-4-2/h3,8H,1,4-6H2,2H3.
What are the key properties of ethyl 2-(prop-2-enylamino)acetate?
ethyl 2-(prop-2-enylamino)acetate has a molecular weight of 143.19 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 10975597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).