1-(butoxycarbonylamino)propan-2-yl prop-2-enoate

C11H19NO4 — CID 141221847

IUPAC1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNC(=O)OCCCC
InChIInChI=1S/C11H19NO4/c1-4-6-7-15-11(14)12-8-9(3)16-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyNUEHPLRSFBRJQO-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds7

About 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate

1-(butoxycarbonylamino)propan-2-yl prop-2-enoate (PubChem CID 141221847) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate.

Molecular Properties

Compound Name1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
PubChem CID141221847
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name1-(butoxycarbonylamino)propan-2-yl prop-2-enoate
SMILESC=CC(=O)OC(C)CNC(=O)OCCCC
InChIInChI=1S/C11H19NO4/c1-4-6-7-15-11(14)12-8-9(3)16-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14)
InChIKeyNUEHPLRSFBRJQO-UHFFFAOYSA-N
XLogP1.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

butyl 3-prop-2-enoyloxybutanoate
CID 90254320
3-(butoxycarbonylamino)-2-methylpropanoic acid
CID 87548601
2-(octoxycarbonylamino)ethyl prop-2-enoate
CID 101151020
1-[1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]propan-2-yl prop-2-enoate
CID 21458420
2-(tetradecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651397
2-(heptadecylcarbamoyloxy)ethyl prop-2-enoate
CID 171651423
2-(decylcarbamoyloxy)ethyl prop-2-enoate
CID 122555467
1-(ethylidenecarbamoylamino)propan-2-yl prop-2-enoate
CID 141187712
3-prop-2-enoyloxybutyl prop-2-enoate;5-prop-2-enoyloxypentyl prop-2-enoate
CID 162239045
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
CID 172734708
CID 172734708

Frequently Asked Questions

What is the IUPAC name of 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate?
The IUPAC name of 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate (CID 141221847) is 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate.
What is the SMILES notation for 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate?
The canonical SMILES for 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate is C=CC(=O)OC(C)CNC(=O)OCCCC.
What is the InChIKey of 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate?
The InChIKey is NUEHPLRSFBRJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-6-7-15-11(14)12-8-9(3)16-10(13)5-2/h5,9H,2,4,6-8H2,1,3H3,(H,12,14).
What are the key properties of 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate?
1-(butoxycarbonylamino)propan-2-yl prop-2-enoate has a molecular weight of 229.28 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxycarbonylamino)propan-2-yl prop-2-enoate is sourced from PubChem (CID 141221847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).