2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate

C10H17NO5 — CID 170150798

IUPAC2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)COC
InChIInChI=1S/C10H17NO5/c1-4-9(12)15-6-5-11-10(13)16-8(2)7-14-3/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyJGWTZCJGAQKQQM-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.48
Rot. Bonds7

About 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate

2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate (PubChem CID 170150798) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
PubChem CID170150798
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNC(=O)OC(C)COC
InChIInChI=1S/C10H17NO5/c1-4-9(12)15-6-5-11-10(13)16-8(2)7-14-3/h4,8H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyJGWTZCJGAQKQQM-UHFFFAOYSA-N
XLogP0.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-[2-[2-(2-prop-2-enoyloxyethylcarbamoyloxy)propoxy]propoxy]propoxy]propan-2-yloxycarbonylamino]ethyl prop-2-enoate
CID 153411308
2-(2-prop-2-enoyloxyethylcarbamoyloxy)propyl 2-methylbutanoate
CID 58435878
2-(2-methylpropanoylamino)ethyl prop-2-enoate
CID 45120227
2-(2-prop-2-enoyloxyethylcarbamoyloxy)ethyl 2-methylpropanoate
CID 140648691
2-[2-(2-methoxyethyldisulfanyl)ethoxycarbonylamino]ethyl prop-2-enoate
CID 139453995
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677
2-acetamidoethyl prop-2-enoate
CID 23089005
2-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]ethyl prop-2-enoate
CID 135130322
2-acetamidoethyl prop-2-enoate;ethane
CID 158515563
2-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]propoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 58975887
2-[[1-(2-methylbutoxy)-3-sulfooxypropan-2-yl]oxycarbonylamino]ethyl prop-2-enoate
CID 58252686
tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl 2-methylprop-2-enoate);tris(2-(1,3-dipropoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate)
CID 160716553

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The IUPAC name of 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate (CID 170150798) is 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate is C=CC(=O)OCCNC(=O)OC(C)COC.
What is the InChIKey of 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate?
The InChIKey is JGWTZCJGAQKQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-9(12)15-6-5-11-10(13)16-8(2)7-14-3/h4,8H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate?
2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate has a molecular weight of 231.25 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropan-2-yloxycarbonylamino)ethyl prop-2-enoate is sourced from PubChem (CID 170150798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).