methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate

C12H22N2O3 — CID 62025889

IUPACmethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
SMILESC=CCNC(=O)C(C)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H22N2O3/c1-6-7-13-12(16)10(4)14(9(2)3)8-11(15)17-5/h6,9-10H,1,7-8H2,2-5H3,(H,13,16)
InChIKeyFVPURBXCWOZYJF-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.56
Rot. Bonds7

About methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate

methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate (PubChem CID 62025889) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
PubChem CID62025889
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate
SMILESC=CCNC(=O)C(C)N(CC(=O)OC)C(C)C
InChIInChI=1S/C12H22N2O3/c1-6-7-13-12(16)10(4)14(9(2)3)8-11(15)17-5/h6,9-10H,1,7-8H2,2-5H3,(H,13,16)
InChIKeyFVPURBXCWOZYJF-UHFFFAOYSA-N
XLogP0.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.56
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

methyl 2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
CID 62025892
3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]propanoic acid
CID 60840164
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
methyl 2-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]propanoate
CID 62026454
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
methyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026267
methyl 2-[bis(1-hydroxyethyl)amino]acetate
CID 175353629
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate (CID 62025889) is methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate is C=CCNC(=O)C(C)N(CC(=O)OC)C(C)C.
What is the InChIKey of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate?
The InChIKey is FVPURBXCWOZYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-6-7-13-12(16)10(4)14(9(2)3)8-11(15)17-5/h6,9-10H,1,7-8H2,2-5H3,(H,13,16).
What are the key properties of methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate?
methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate has a molecular weight of 242.32 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62025889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).