methyl 2-(prop-2-enylamino)acetate

C6H11NO2 — CID 13454969

IUPACmethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h3,7H,1,4-5H2,2H3
InChIKeyNXDPEGBGHJHNSR-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.06
Rot. Bonds4

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

methyl 2-(prop-2-enylamino)acetate (PubChem CID 13454969) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(prop-2-enylamino)acetate
PubChem CID13454969
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OC
InChIInChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h3,7H,1,4-5H2,2H3
InChIKeyNXDPEGBGHJHNSR-UHFFFAOYSA-N
XLogP-0.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.06
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

N-Allylglycine
CID 76651
CID 36690796
CID 36690796
N-2-Propen-1-ylglycine ethyl ester
CID 10975597
Tert-butyl 2-[(prop-2-en-1-yl)amino]acetate
CID 19959470
Acrylylglycine, methyl ester
CID 6429410
Diallylammonioethanoate
CID 42232764
N-But-2-en-1-ylglycine
CID 53407996
cis-Crotylglycine
CID 87168838
Methyl 2-[methyl(prop-2-enyl)amino]acetate
CID 60670358
Allylglycin-hydrobromid
CID 129648695
Carboxymethyl(prop-2-enyl)azanium
CID 134844890
Prop-2-enyl 2-(ethylamino)acetate
CID 4577937

Frequently Asked Questions

What is the IUPAC name of methyl 2-(prop-2-enylamino)acetate?
The IUPAC name of methyl 2-(prop-2-enylamino)acetate (CID 13454969) is methyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for methyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OC.
What is the InChIKey of methyl 2-(prop-2-enylamino)acetate?
The InChIKey is NXDPEGBGHJHNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-4-7-5-6(8)9-2/h3,7H,1,4-5H2,2H3.
What are the key properties of methyl 2-(prop-2-enylamino)acetate?
methyl 2-(prop-2-enylamino)acetate has a molecular weight of 129.16 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 13454969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).