ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate

C10H17NO4 — CID 18988886

IUPACethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h5-6,8,11H,4,7H2,1-3H3/b6-5+
InChIKeyREPRZSUMBPPJLG-AATRIKPKSA-N
MW215.25 g/mol
LogP0.60
Rot. Bonds6

About ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate

ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate (PubChem CID 18988886) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate
PubChem CID18988886
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Nameethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NC(C)COC(C)=O
InChIInChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h5-6,8,11H,4,7H2,1-3H3/b6-5+
InChIKeyREPRZSUMBPPJLG-AATRIKPKSA-N
XLogP0.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (Z)-3-[[(2S)-1-acetyloxypropan-2-yl]amino]prop-2-enoate
CID 11138476
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
2-bromopropane;diethyl but-2-enedioate
CID 158645585
ethyl (Z)-3-formamidoprop-2-enoate
CID 55288302
ethyl N-[(E)-3-[1-[[(E)-3-(ethoxycarbonylamino)-3-oxoprop-1-enyl]amino]propan-2-ylamino]prop-2-enoyl]carbamate
CID 134096144
ethyl acetate;bis(propan-2-ol)
CID 87186921
dimethyl (Z)-but-2-enedioate;ethyl acetate
CID 174859797
ethyl acetate;methanol
CID 173029748
ethyl acetate;methanol
CID 173278723
ethyl 3-(2,2-dimethylhydrazinyl)prop-2-enoate
CID 143226823
methyl 3-(1-hydroxypropan-2-ylamino)prop-2-enoate
CID 174604913

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate (CID 18988886) is ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate is CCOC(=O)/C=C/NC(C)COC(C)=O.
What is the InChIKey of ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate?
The InChIKey is REPRZSUMBPPJLG-AATRIKPKSA-N. The full InChI is InChI=1S/C10H17NO4/c1-4-14-10(13)5-6-11-8(2)7-15-9(3)12/h5-6,8,11H,4,7H2,1-3H3/b6-5+.
What are the key properties of ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate?
ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate has a molecular weight of 215.25 g/mol, XLogP of 0.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(1-acetyloxypropan-2-ylamino)prop-2-enoate is sourced from PubChem (CID 18988886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).