methyl 4-[formyl(propyl)amino]butanoate

C9H17NO3 — CID 54075417

IUPACmethyl 4-[formyl(propyl)amino]butanoate
SMILESCCCN(C=O)CCCC(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-6-10(8-11)7-4-5-9(12)13-2/h8H,3-7H2,1-2H3
InChIKeyGQESRUILGVOIKZ-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.81
Rot. Bonds7

About methyl 4-[formyl(propyl)amino]butanoate

methyl 4-[formyl(propyl)amino]butanoate (PubChem CID 54075417) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 4-[formyl(propyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[formyl(propyl)amino]butanoate
PubChem CID54075417
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 4-[formyl(propyl)amino]butanoate
SMILESCCCN(C=O)CCCC(=O)OC
InChIInChI=1S/C9H17NO3/c1-3-6-10(8-11)7-4-5-9(12)13-2/h8H,3-7H2,1-2H3
InChIKeyGQESRUILGVOIKZ-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carpronium Chloride
CID 25804
Propyl N,N-diethylsuccinamate
CID 79913
Carpronium
CID 2582
4-[Ethyl(dimethyl)ammonio]butanoate
CID 51347808
Ethyl 4-(dipropylamino)-4-oxobutanoate
CID 82404
Butyric acid, 4-diethylamino-, ethyl ester
CID 45407
Ethyl 4-(diethylamino)-4-oxobutanoate
CID 347845
4-[Methoxymethyl(dimethyl)azaniumyl]butanoate
CID 90655237
4-Methoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
CID 29406
4-[Diethyl(methyl)azaniumyl]butanoate
CID 90655208
4-[Butyl(dimethyl)azaniumyl]butanoate
CID 90655211
4-[Dimethyl(propyl)azaniumyl]butanoate
CID 90655225

Frequently Asked Questions

What is the IUPAC name of methyl 4-[formyl(propyl)amino]butanoate?
The IUPAC name of methyl 4-[formyl(propyl)amino]butanoate (CID 54075417) is methyl 4-[formyl(propyl)amino]butanoate.
What is the SMILES notation for methyl 4-[formyl(propyl)amino]butanoate?
The canonical SMILES for methyl 4-[formyl(propyl)amino]butanoate is CCCN(C=O)CCCC(=O)OC.
What is the InChIKey of methyl 4-[formyl(propyl)amino]butanoate?
The InChIKey is GQESRUILGVOIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-6-10(8-11)7-4-5-9(12)13-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 4-[formyl(propyl)amino]butanoate?
methyl 4-[formyl(propyl)amino]butanoate has a molecular weight of 187.24 g/mol, XLogP of 0.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[formyl(propyl)amino]butanoate is sourced from PubChem (CID 54075417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).