methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate

C7H11NO3 — CID 12714068

IUPACmethyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate
SMILESCOC(=O)CN/C=C(/C)C=O
InChIInChI=1S/C7H11NO3/c1-6(5-9)3-8-4-7(10)11-2/h3,5,8H,4H2,1-2H3/b6-3-
InChIKeyGBSVBLDPMZVFTG-UTCJRWHESA-N
MW157.17 g/mol
LogP-0.15
Rot. Bonds4

About methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate

methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate (PubChem CID 12714068) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate
PubChem CID12714068
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate
SMILESCOC(=O)CN/C=C(/C)C=O
InChIInChI=1S/C7H11NO3/c1-6(5-9)3-8-4-7(10)11-2/h3,5,8H,4H2,1-2H3/b6-3-
InChIKeyGBSVBLDPMZVFTG-UTCJRWHESA-N
XLogP-0.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-2-methyl-3-oxoprop-1-enyl]carbamate
CID 12509742
2-methyl-3-(propylamino)prop-2-enal;hydrochloride
CID 175310353
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CID 14200491
methyl 2-(methoxycarbonylamino)acetate
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methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
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ethane;methyl 2-formamidoacetate;pyrrolidine
CID 144594461
diethyl (E,4Z)-4-[[(2-methoxy-2-oxoethyl)amino]methylidene]pent-2-enedioate
CID 15416831
iron;tris(methyl 2-[(1-hydroxy-3-oxobut-1-enyl)amino]acetate)
CID 146860002
methyl 2-[[(E)-4-chlorobut-2-enyl]amino]acetate
CID 81430665
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]acetate
CID 106276443
methyl (E)-3-methyl-4-oxobut-2-enoate
CID 10953519
methyl 13-oxotridecanoate
CID 10331995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate?
The IUPAC name of methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate (CID 12714068) is methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate?
The canonical SMILES for methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate is COC(=O)CN/C=C(/C)C=O.
What is the InChIKey of methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate?
The InChIKey is GBSVBLDPMZVFTG-UTCJRWHESA-N. The full InChI is InChI=1S/C7H11NO3/c1-6(5-9)3-8-4-7(10)11-2/h3,5,8H,4H2,1-2H3/b6-3-.
What are the key properties of methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate?
methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(Z)-2-methyl-3-oxoprop-1-enyl]amino]acetate is sourced from PubChem (CID 12714068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).