[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate

C9H15NO3 — CID 19832803

IUPAC[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(=O)NCCC
InChIInChI=1S/C9H15NO3/c1-4-6-10-9(12)7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12)
InChIKeyAUUWUMPEUUULHP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.63
Rot. Bonds5

About [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate

[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate (PubChem CID 19832803) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate
PubChem CID19832803
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)C(=O)NCCC
InChIInChI=1S/C9H15NO3/c1-4-6-10-9(12)7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12)
InChIKeyAUUWUMPEUUULHP-UHFFFAOYSA-N
XLogP0.63
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-acryloyloxyethylacrylamide
CID 15084870
2-Acetamidoethyl prop-2-enoate
CID 23089005
2-(2-Methylprop-2-enoylamino)ethyl prop-2-enoate
CID 15312509
3-(Propanoylamino)propyl prop-2-enoate
CID 15857754
[2-(But-3-enylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 17774239
[1-(Methylamino)-1-oxopropan-2-yl] prop-2-enoate
CID 19832802
[1-(Hydroxymethylamino)-1-oxopropan-2-yl] prop-2-enoate
CID 19983289
[1-Oxo-1-[1-oxo-1-(2-prop-2-enoyloxyethylamino)propan-2-yl]oxypropan-2-yl] 2-prop-2-enoyloxypropanoate
CID 21334744
[1-(Butylamino)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 21467743
[2-(Ethylamino)-2-oxoethyl] prop-2-enoate
CID 22077451
[2-(Nonylamino)-2-oxoethyl] prop-2-enoate
CID 23017872
bis[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] (E)-but-2-enedioate
CID 39791885

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate?
The IUPAC name of [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate (CID 19832803) is [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate?
The canonical SMILES for [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate is C=CC(=O)OC(C)C(=O)NCCC.
What is the InChIKey of [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate?
The InChIKey is AUUWUMPEUUULHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-6-10-9(12)7(3)13-8(11)5-2/h5,7H,2,4,6H2,1,3H3,(H,10,12).
What are the key properties of [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate?
[1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propylamino)propan-2-yl] prop-2-enoate is sourced from PubChem (CID 19832803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).