ethyl 3-methyl-3-(propylamino)butanoate

C10H21NO2 — CID 65236098

IUPACethyl 3-methyl-3-(propylamino)butanoate
SMILESCCCNC(C)(C)CC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-5-7-11-10(3,4)8-9(12)13-6-2/h11H,5-8H2,1-4H3
InChIKeyVEWSESVDMGXQDR-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds6

About ethyl 3-methyl-3-(propylamino)butanoate

ethyl 3-methyl-3-(propylamino)butanoate (PubChem CID 65236098) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 3-methyl-3-(propylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-(propylamino)butanoate
PubChem CID65236098
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 3-methyl-3-(propylamino)butanoate
SMILESCCCNC(C)(C)CC(=O)OCC
InChIInChI=1S/C10H21NO2/c1-5-7-11-10(3,4)8-9(12)13-6-2/h11H,5-8H2,1-4H3
InChIKeyVEWSESVDMGXQDR-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 177138587
ethyl 3-methyl-3-(propylamino)pentanoate
CID 65235785
3-methyl-3-(propylamino)butanoic acid
CID 65235823
ethyl 3,6-dimethyl-3-(propylamino)heptanoate
CID 65235736
ethyl 2-methyl-2-(propylamino)pentanoate
CID 60796647
ethyl 3-(cyanoamino)-3-methylbutanoate
CID 57008204
ethyl 3-(propylamino)-3-pyridin-4-ylbutanoate
CID 65236089
ethyl 3,3-dimethylbutanoate;methane
CID 167622566
ethyl 6-(2-methylpentadecan-2-ylamino)hexanoate
CID 20571657
ethyl 3-tert-butyl-3-methylhexanoate
CID 134987959
ethyl 3-methyl-3-(methylamino)octanoate
CID 80558531
2-[(4-butoxy-2-methyl-4-oxobutan-2-yl)amino]acetic acid
CID 140557146

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-(propylamino)butanoate?
The IUPAC name of ethyl 3-methyl-3-(propylamino)butanoate (CID 65236098) is ethyl 3-methyl-3-(propylamino)butanoate.
What is the SMILES notation for ethyl 3-methyl-3-(propylamino)butanoate?
The canonical SMILES for ethyl 3-methyl-3-(propylamino)butanoate is CCCNC(C)(C)CC(=O)OCC.
What is the InChIKey of ethyl 3-methyl-3-(propylamino)butanoate?
The InChIKey is VEWSESVDMGXQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7-11-10(3,4)8-9(12)13-6-2/h11H,5-8H2,1-4H3.
What are the key properties of ethyl 3-methyl-3-(propylamino)butanoate?
ethyl 3-methyl-3-(propylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-(propylamino)butanoate is sourced from PubChem (CID 65236098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).