methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate

C10H18N2O3 — CID 60676874

IUPACmethyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
SMILESC=CCNC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C10H18N2O3/c1-4-6-12-10(14)8(2)11-7-5-9(13)15-3/h4,8,11H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyUOSUAVPULBTSRI-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.17
Rot. Bonds7

About methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate

methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate (PubChem CID 60676874) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
PubChem CID60676874
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Namemethyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate
SMILESC=CCNC(=O)C(C)NCCC(=O)OC
InChIInChI=1S/C10H18N2O3/c1-4-6-12-10(14)8(2)11-7-5-9(13)15-3/h4,8,11H,1,5-7H2,2-3H3,(H,12,14)
InChIKeyUOSUAVPULBTSRI-UHFFFAOYSA-N
XLogP-0.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 88908729
Methyl 3-[[2-(prop-2-enylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 79280328
N-(3-methoxypropyl)-N'-(prop-2-en-1-yl)ethanediamide
CID 2272322
methyl N-[(2S)-1-amino-1-oxobutan-2-yl]-N-prop-2-enylcarbamate
CID 25172830
Methyl 3-(2-aminopent-4-enoylamino)propanoate
CID 58747518
methyl (E,3S)-3-[[2-(3-methoxypropylamino)acetyl]amino]hex-4-enoate
CID 59883420
methyl N-(1-amino-1-oxobutan-2-yl)-N-prop-2-enylcarbamate
CID 74426900
tert-butyl N-[1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 86921633
3-Aminopropanoic acid;2-(prop-2-enylamino)propanamide
CID 87492445
Methyl 3-[2-(propanoylamino)pent-4-enoylamino]propanoate
CID 88927886
methyl 3-[2-[[(E)-but-2-enoyl]amino]pent-4-enoylamino]propanoate
CID 88965335
methyl 3-[[(2S)-1-amino-1-oxobutan-2-yl]-prop-2-enylamino]-3-oxopropanoate
CID 89132097

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The IUPAC name of methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate (CID 60676874) is methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate is C=CCNC(=O)C(C)NCCC(=O)OC.
What is the InChIKey of methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
The InChIKey is UOSUAVPULBTSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-6-12-10(14)8(2)11-7-5-9(13)15-3/h4,8,11H,1,5-7H2,2-3H3,(H,12,14).
What are the key properties of methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate?
methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate has a molecular weight of 214.26 g/mol, XLogP of -0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanoate is sourced from PubChem (CID 60676874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).