benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate

C15H21NO2 — CID 106484239

IUPACbenzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
SMILESCC(CN(C)C1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-14)15(17)18-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyXTSLOHXLBXMFLT-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds6

About benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate

benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate (PubChem CID 106484239) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
PubChem CID106484239
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
SMILESCC(CN(C)C1CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-14)15(17)18-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyXTSLOHXLBXMFLT-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
CID 106484238
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
CID 106484249
benzyl 2-methyl-3-[methyl(2-methylsulfanylethyl)amino]propanoate
CID 106484387
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
3-[cyclopropyl(methyl)amino]-2-methylpropanoic acid
CID 43538764
benzyl N-[(1R,3R,4S)-3,4-dihydroxycyclohexyl]-N-methylcarbamate
CID 67475983

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate?
The IUPAC name of benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate (CID 106484239) is benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate.
What is the SMILES notation for benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate?
The canonical SMILES for benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate is CC(CN(C)C1CC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate?
The InChIKey is XTSLOHXLBXMFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(10-16(2)14-8-9-14)15(17)18-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate?
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate has a molecular weight of 247.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106484239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).