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

C16H23NO2 — CID 106484238

IUPACbenzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
SMILESCCN(CC(C)C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C16H23NO2/c1-3-17(15-9-10-15)11-13(2)16(18)19-12-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyZSVLKAVNDJACLD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.85
Rot. Bonds7

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

benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate (PubChem CID 106484238) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
PubChem CID106484238
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namebenzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate
SMILESCCN(CC(C)C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C16H23NO2/c1-3-17(15-9-10-15)11-13(2)16(18)19-12-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3
InChIKeyZSVLKAVNDJACLD-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
benzyl 3-[ethyl(2-methylpropyl)amino]-2-methylpropanoate
CID 106484249
benzyl 2-methyl-3-[methyl(pyrrolidin-3-yl)amino]propanoate
CID 106484429
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 2-methyl-3-(N-methylanilino)propanoate
CID 106484216
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
CID 66564308
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate?
The IUPAC name of benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate (CID 106484238) is benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate.
What is the SMILES notation for benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate?
The canonical SMILES for benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate is CCN(CC(C)C(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate?
The InChIKey is ZSVLKAVNDJACLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-17(15-9-10-15)11-13(2)16(18)19-12-14-7-5-4-6-8-14/h4-8,13,15H,3,9-12H2,1-2H3.
What are the key properties of benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate?
benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate has a molecular weight of 261.37 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[cyclopropyl(ethyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106484238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).