prop-2-enyl 4-(methylamino)butanoate

C8H15NO2 — CID 88938848

IUPACprop-2-enyl 4-(methylamino)butanoate
SMILESC=CCOC(=O)CCCNC
InChIInChI=1S/C8H15NO2/c1-3-7-11-8(10)5-4-6-9-2/h3,9H,1,4-7H2,2H3
InChIKeyLVMHBNUAXNLMHM-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

About prop-2-enyl 4-(methylamino)butanoate

prop-2-enyl 4-(methylamino)butanoate (PubChem CID 88938848) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is prop-2-enyl 4-(methylamino)butanoate.

Molecular Properties

Compound Nameprop-2-enyl 4-(methylamino)butanoate
PubChem CID88938848
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameprop-2-enyl 4-(methylamino)butanoate
SMILESC=CCOC(=O)CCCNC
InChIInChI=1S/C8H15NO2/c1-3-7-11-8(10)5-4-6-9-2/h3,9H,1,4-7H2,2H3
InChIKeyLVMHBNUAXNLMHM-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Butylamino)butyl prop-2-enoate
CID 22395480
Methyl 4-(prop-2-enylamino)butanoate
CID 43216351
4-(Methylamino)butyl prop-2-enoate
CID 53947534
Butyl 4-(prop-2-enylamino)butanoate
CID 54043239
4-(Ethylamino)butyl prop-2-enoate
CID 54213544
Prop-2-enyl 4-aminobutanoate
CID 54235315
Ethyl 4-(prop-2-enylamino)butanoate
CID 54298068
4-(Propylamino)butyl prop-2-enoate
CID 54434407
Ethyl 4-(pent-4-enylamino)butanoate
CID 64580485
2-Methylprop-2-enyl 4-(methylamino)butanoate
CID 88938843
2-Prop-2-enoxyethyl 4-aminobutanoate
CID 89197306
Ethyl 4-(methylamino)-2-methylidenebutanoate
CID 139795799

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(methylamino)butanoate?
The IUPAC name of prop-2-enyl 4-(methylamino)butanoate (CID 88938848) is prop-2-enyl 4-(methylamino)butanoate.
What is the SMILES notation for prop-2-enyl 4-(methylamino)butanoate?
The canonical SMILES for prop-2-enyl 4-(methylamino)butanoate is C=CCOC(=O)CCCNC.
What is the InChIKey of prop-2-enyl 4-(methylamino)butanoate?
The InChIKey is LVMHBNUAXNLMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7-11-8(10)5-4-6-9-2/h3,9H,1,4-7H2,2H3.
What are the key properties of prop-2-enyl 4-(methylamino)butanoate?
prop-2-enyl 4-(methylamino)butanoate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(methylamino)butanoate is sourced from PubChem (CID 88938848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).