methyl 4-[methoxycarbonyl(propyl)amino]butanoate

C10H19NO4 — CID 87857184

IUPACmethyl 4-[methoxycarbonyl(propyl)amino]butanoate
SMILESCCCN(CCCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-7-11(10(13)15-3)8-5-6-9(12)14-2/h4-8H2,1-3H3
InChIKeyOFCCNVOBDKEYIB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds6

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

methyl 4-[methoxycarbonyl(propyl)amino]butanoate (PubChem CID 87857184) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is methyl 4-[methoxycarbonyl(propyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methoxycarbonyl(propyl)amino]butanoate
PubChem CID87857184
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Namemethyl 4-[methoxycarbonyl(propyl)amino]butanoate
SMILESCCCN(CCCC(=O)OC)C(=O)OC
InChIInChI=1S/C10H19NO4/c1-4-7-11(10(13)15-3)8-5-6-9(12)14-2/h4-8H2,1-3H3
InChIKeyOFCCNVOBDKEYIB-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-[(Methoxycarbonyl)(methyl)amino]butanoic acid
CID 18442970
4-[Diethyl(methyl)azaniumyl]butanoate
CID 90655208
4-[Butyl(dimethyl)azaniumyl]butanoate
CID 90655211

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxycarbonyl(propyl)amino]butanoate?
The IUPAC name of methyl 4-[methoxycarbonyl(propyl)amino]butanoate (CID 87857184) is methyl 4-[methoxycarbonyl(propyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methoxycarbonyl(propyl)amino]butanoate?
The canonical SMILES for methyl 4-[methoxycarbonyl(propyl)amino]butanoate is CCCN(CCCC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 4-[methoxycarbonyl(propyl)amino]butanoate?
The InChIKey is OFCCNVOBDKEYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7-11(10(13)15-3)8-5-6-9(12)14-2/h4-8H2,1-3H3.
What are the key properties of methyl 4-[methoxycarbonyl(propyl)amino]butanoate?
methyl 4-[methoxycarbonyl(propyl)amino]butanoate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxycarbonyl(propyl)amino]butanoate is sourced from PubChem (CID 87857184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).