methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

C12H20N2O5 — CID 55153272

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H20N2O5/c1-5-6-13-12(17)9(2)14(7-10(15)18-3)8-11(16)19-4/h5,9H,1,6-8H2,2-4H3,(H,13,17)
InChIKeyNCPWMFIEVBWWLL-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.67
Rot. Bonds8

About methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (PubChem CID 55153272) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
PubChem CID55153272
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate
SMILESC=CCNC(=O)C(C)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C12H20N2O5/c1-5-6-13-12(17)9(2)14(7-10(15)18-3)8-11(16)19-4/h5,9H,1,6-8H2,2-4H3,(H,13,17)
InChIKeyNCPWMFIEVBWWLL-UHFFFAOYSA-N
XLogP-0.67
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate with MolForge

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Related Compounds

N-Acetyl-ala-ala-ala-methylester
CID 5462473
Methyl 2-{2-[2-(acetylamino)propanoylamino]propanoylamino}propanoate
CID 100120
N-(N-L-Alanyl-L-alanyl)-O-methyl-L-alanine monoacetate
CID 541978
N,N'-bis[(s)-1-methoxycarbonylethyl]fumaric diamide
CID 102252315
Boc-D-N(allyl)Ala-Ala-OMe
CID 5471032
l-Alanyl-l-alanyl-l-alanine methyl ester
CID 6097192
(S)-Methyl 2-(2-(2-aminopropanamido)acetamido)acetate
CID 129807724
{Allylcarbamoylmethyl-[2-(bis-methoxycarbonylmethyl-amino)-cyclohexyl]-amino}-acetic acid methyl ester
CID 384596
AC-Ala-ala-ome
CID 12025525
Methyl 2-[2-(methoxycarbonylamino)propanoylamino]propanoate
CID 59929033
N-Acetyl-alanyl-alanine methyl ester
CID 134725648
CID 7019840
CID 7019840

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate (CID 55153272) is methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is C=CCNC(=O)C(C)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
The InChIKey is NCPWMFIEVBWWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-5-6-13-12(17)9(2)14(7-10(15)18-3)8-11(16)19-4/h5,9H,1,6-8H2,2-4H3,(H,13,17).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate has a molecular weight of 272.30 g/mol, XLogP of -0.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]acetate is sourced from PubChem (CID 55153272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).