(prop-1-enylamino) butanoate

C7H13NO2 — CID 175361993

IUPAC(prop-1-enylamino) butanoate
SMILESCC=CNOC(=O)CCC
InChIInChI=1S/C7H13NO2/c1-3-5-7(9)10-8-6-4-2/h4,6,8H,3,5H2,1-2H3
InChIKeyXFWJVZASIKRJMI-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.37
Rot. Bonds4

About (prop-1-enylamino) butanoate

(prop-1-enylamino) butanoate (PubChem CID 175361993) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (prop-1-enylamino) butanoate.

Molecular Properties

Compound Name(prop-1-enylamino) butanoate
PubChem CID175361993
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(prop-1-enylamino) butanoate
SMILESCC=CNOC(=O)CCC
InChIInChI=1S/C7H13NO2/c1-3-5-7(9)10-8-6-4-2/h4,6,8H,3,5H2,1-2H3
InChIKeyXFWJVZASIKRJMI-UHFFFAOYSA-N
XLogP1.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl butanoate;hydrochloride
CID 87356625
formamido pentanoate
CID 88804872
chromium;methyl butanoate
CID 174781983
methyl butanoate;tetrahydrochloride
CID 173289582
[(E)-2-(butanoyloxycarbonylamino)ethenyl]carbamoyl butanoate
CID 6081699
methanesulfonamido butanoate
CID 91249572
CID 171374935
CID 171374935
(nonylamino) butanoate
CID 167224180
dibutanoyl butanedioate
CID 88643975
N-[(E)-prop-1-enyl]pentanamide
CID 121306108
N-propoxyprop-1-en-1-amine
CID 76504451
di(butanoyloxy)phosphoryl butanoate
CID 23615252

Frequently Asked Questions

What is the IUPAC name of (prop-1-enylamino) butanoate?
The IUPAC name of (prop-1-enylamino) butanoate (CID 175361993) is (prop-1-enylamino) butanoate.
What is the SMILES notation for (prop-1-enylamino) butanoate?
The canonical SMILES for (prop-1-enylamino) butanoate is CC=CNOC(=O)CCC.
What is the InChIKey of (prop-1-enylamino) butanoate?
The InChIKey is XFWJVZASIKRJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-7(9)10-8-6-4-2/h4,6,8H,3,5H2,1-2H3.
What are the key properties of (prop-1-enylamino) butanoate?
(prop-1-enylamino) butanoate has a molecular weight of 143.19 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-1-enylamino) butanoate is sourced from PubChem (CID 175361993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).