4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate

C10H19NO2 — CID 90655220

IUPAC4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate
SMILESC[N+](C)(CCCC(=O)[O-])CC1CC1
InChIInChI=1S/C10H19NO2/c1-11(2,8-9-5-6-9)7-3-4-10(12)13/h9H,3-8H2,1-2H3
InChIKeyACVMPLVKOIRTLB-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.00
Rot. Bonds6

About 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate

4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate (PubChem CID 90655220) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate.

Molecular Properties

Compound Name4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate
PubChem CID90655220
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate
SMILESC[N+](C)(CCCC(=O)[O-])CC1CC1
InChIInChI=1S/C10H19NO2/c1-11(2,8-9-5-6-9)7-3-4-10(12)13/h9H,3-8H2,1-2H3
InChIKeyACVMPLVKOIRTLB-UHFFFAOYSA-N
XLogP0.00
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808
4-[Cyclopropyl(dimethyl)azaniumyl]butanoate
CID 90655214
4-[Dimethyl(propan-2-yl)azaniumyl]butanoate
CID 90655229
4-[Diethyl(methyl)azaniumyl]butanoate
CID 90655208
4-[Butyl(dimethyl)azaniumyl]butanoate
CID 90655211
4-[Dimethyl(propyl)azaniumyl]butanoate
CID 90655225
3-Methyl-4-(trimethylammonio)butanoate
CID 20606311
Methyl 4-(diethylamino)butanoate
CID 44910
Fluoro 4-(diethylamino)butanoate
CID 177137447
Triethylbutylammonium butyrate
CID 132279274
Ethyl 4-diisobutylaminobutyrate
CID 13558652
4-(Triethylazaniumyl)butanoate
CID 15278120

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate?
The IUPAC name of 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate (CID 90655220) is 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate.
What is the SMILES notation for 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate?
The canonical SMILES for 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate is C[N+](C)(CCCC(=O)[O-])CC1CC1.
What is the InChIKey of 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate?
The InChIKey is ACVMPLVKOIRTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-11(2,8-9-5-6-9)7-3-4-10(12)13/h9H,3-8H2,1-2H3.
What are the key properties of 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate?
4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate has a molecular weight of 185.27 g/mol, XLogP of 0.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropylmethyl(dimethyl)azaniumyl]butanoate is sourced from PubChem (CID 90655220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).