methyl 3-(prop-2-enylcarbamoylamino)propanoate

C8H14N2O3 — CID 60706179

IUPACmethyl 3-(prop-2-enylcarbamoylamino)propanoate
SMILESC=CCNC(=O)NCCC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-4-7(11)13-2/h3H,1,4-6H2,2H3,(H2,9,10,12)
InChIKeyBVZAGHSFHITEFC-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.03
Rot. Bonds5

About methyl 3-(prop-2-enylcarbamoylamino)propanoate

methyl 3-(prop-2-enylcarbamoylamino)propanoate (PubChem CID 60706179) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 3-(prop-2-enylcarbamoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(prop-2-enylcarbamoylamino)propanoate
PubChem CID60706179
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 3-(prop-2-enylcarbamoylamino)propanoate
SMILESC=CCNC(=O)NCCC(=O)OC
InChIInChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-4-7(11)13-2/h3H,1,4-6H2,2H3,(H2,9,10,12)
InChIKeyBVZAGHSFHITEFC-UHFFFAOYSA-N
XLogP0.03
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxyethyl)-3-prop-2-enylurea
CID 87694211
4-[(3-methoxy-3-oxopropyl)carbamoylamino]butanoic acid
CID 61300129
S-(3-methylbutyl) 3-(prop-2-enylcarbamoylamino)propanethioate
CID 155458254
(2S)-4-methoxy-4-oxo-2-(prop-2-enylcarbamoylamino)butanoic acid
CID 63307007
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
methyl 3-(3-acetamidopropanoylamino)propanoate
CID 60637138
methyl 2-(3-oxobutylcarbamoylamino)acetate
CID 108895259
hydron;1-(2-methylpropyl)-3-prop-2-enylurea
CID 174433469
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
methyl 3-[[(E)-2-cyclopropylprop-1-enyl]carbamoylamino]propanoate
CID 108915612
methyl 3-[(4-bromophenyl)carbamoylamino]propanoate
CID 47361141
N-(prop-2-enylcarbamoyl)formamide
CID 87901285

Frequently Asked Questions

What is the IUPAC name of methyl 3-(prop-2-enylcarbamoylamino)propanoate?
The IUPAC name of methyl 3-(prop-2-enylcarbamoylamino)propanoate (CID 60706179) is methyl 3-(prop-2-enylcarbamoylamino)propanoate.
What is the SMILES notation for methyl 3-(prop-2-enylcarbamoylamino)propanoate?
The canonical SMILES for methyl 3-(prop-2-enylcarbamoylamino)propanoate is C=CCNC(=O)NCCC(=O)OC.
What is the InChIKey of methyl 3-(prop-2-enylcarbamoylamino)propanoate?
The InChIKey is BVZAGHSFHITEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-5-9-8(12)10-6-4-7(11)13-2/h3H,1,4-6H2,2H3,(H2,9,10,12).
What are the key properties of methyl 3-(prop-2-enylcarbamoylamino)propanoate?
methyl 3-(prop-2-enylcarbamoylamino)propanoate has a molecular weight of 186.21 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(prop-2-enylcarbamoylamino)propanoate is sourced from PubChem (CID 60706179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).