methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate

C9H16N2O3 — CID 103247605

IUPACmethyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC(C)C(=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-7(9(13)11(2)3)10-6-5-8(12)14-4/h5-7,10H,1-4H3/b6-5+
InChIKeyONUDCRCLHUWCDS-AATRIKPKSA-N
MW200.24 g/mol
LogP-0.26
Rot. Bonds4

About methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate

methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate (PubChem CID 103247605) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate
PubChem CID103247605
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate
SMILESCOC(=O)/C=C/NC(C)C(=O)N(C)C
InChIInChI=1S/C9H16N2O3/c1-7(9(13)11(2)3)10-6-5-8(12)14-4/h5-7,10H,1-4H3/b6-5+
InChIKeyONUDCRCLHUWCDS-AATRIKPKSA-N
XLogP-0.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(1-hydroxypropan-2-ylamino)prop-2-enoate
CID 174604913
methyl N-[1-(dimethylamino)-1-oxopropan-2-yl]carbamate
CID 13269666
methyl (E)-3-[(1-hydroxy-4-methylpentan-3-yl)amino]prop-2-enoate
CID 106350939
methyl 4-bromopent-2-enoate
CID 54128087
(E)-3-[(1-methoxy-1-oxopropan-2-yl)amino]prop-2-enoic acid
CID 103245347
methyl (E)-3-[[(1R)-1-(2-chlorophenyl)ethyl]amino]prop-2-enoate
CID 103260159
dimethyl octa-2,4,6-trienedioate
CID 5250542
CID 160615105
CID 160615105
methyl (E)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]prop-2-enoate
CID 103257163
methyl (E)-3-(pent-1-yn-3-ylamino)prop-2-enoate
CID 106231813
methyl 3-[3,3-dimethylbutan-2-yl(methyl)amino]prop-2-enoate
CID 79896779
2-(2-methoxyethoxyamino)-N,N-dimethylpropanamide
CID 82722296

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate?
The IUPAC name of methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate (CID 103247605) is methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate is COC(=O)/C=C/NC(C)C(=O)N(C)C.
What is the InChIKey of methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate?
The InChIKey is ONUDCRCLHUWCDS-AATRIKPKSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(9(13)11(2)3)10-6-5-8(12)14-4/h5-7,10H,1-4H3/b6-5+.
What are the key properties of methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate?
methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate has a molecular weight of 200.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]prop-2-enoate is sourced from PubChem (CID 103247605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).