butyl 3-(prop-2-enoylamino)propanoate

C10H17NO3 — CID 91692696

IUPACbutyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-8-14-10(13)6-7-11-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyJPICICRJSFKZQY-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.02
Rot. Bonds7

About butyl 3-(prop-2-enoylamino)propanoate

butyl 3-(prop-2-enoylamino)propanoate (PubChem CID 91692696) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is butyl 3-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Namebutyl 3-(prop-2-enoylamino)propanoate
PubChem CID91692696
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namebutyl 3-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NCCC(=O)OCCCC
InChIInChI=1S/C10H17NO3/c1-3-5-8-14-10(13)6-7-11-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,12)
InChIKeyJPICICRJSFKZQY-UHFFFAOYSA-N
XLogP1.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of butyl 3-(prop-2-enoylamino)propanoate?
The IUPAC name of butyl 3-(prop-2-enoylamino)propanoate (CID 91692696) is butyl 3-(prop-2-enoylamino)propanoate.
What is the SMILES notation for butyl 3-(prop-2-enoylamino)propanoate?
The canonical SMILES for butyl 3-(prop-2-enoylamino)propanoate is C=CC(=O)NCCC(=O)OCCCC.
What is the InChIKey of butyl 3-(prop-2-enoylamino)propanoate?
The InChIKey is JPICICRJSFKZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-3-5-8-14-10(13)6-7-11-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,12).
What are the key properties of butyl 3-(prop-2-enoylamino)propanoate?
butyl 3-(prop-2-enoylamino)propanoate has a molecular weight of 199.25 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 91692696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).