benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate

C18H27NO2 — CID 106484199

IUPACbenzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
SMILESCC(CNC1CCC(C)(C)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(12-19-16-9-10-18(2,3)11-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,19H,9-13H2,1-3H3
InChIKeyRDSFVJZEXINGGU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.53
Rot. Bonds6

About benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate

benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate (PubChem CID 106484199) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
PubChem CID106484199
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Namebenzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate
SMILESCC(CNC1CCC(C)(C)C1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H27NO2/c1-14(12-19-16-9-10-18(2,3)11-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,19H,9-13H2,1-3H3
InChIKeyRDSFVJZEXINGGU-UHFFFAOYSA-N
XLogP3.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-[(2-hydroxycyclohexyl)amino]-2-methylpropanoate
CID 106484006
benzyl 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylpropanoate
CID 106484201
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 2-methyl-3-(sulfamoylamino)propanoate
CID 174669521
benzyl (2R)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394033
benzyl (2S)-2-methyl-3-(1-methylcyclohexyl)propanoate
CID 122394034
methyl 2-methyl-3-[(3,3,5,5-tetramethylcyclohexyl)amino]propanoate
CID 113359608
bis(benzyl N-(3,3-dimethylcyclobutyl)carbamate);bis(3,3-dimethylcyclobutan-1-amine);propan-2-ol
CID 161347483
2-O-benzyl 1-O-[2-[2-(3,3-dimethylcyclohexyl)propanoyloxy]ethyl] oxalate
CID 155238016

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The IUPAC name of benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate (CID 106484199) is benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate.
What is the SMILES notation for benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The canonical SMILES for benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate is CC(CNC1CCC(C)(C)C1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
The InChIKey is RDSFVJZEXINGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(12-19-16-9-10-18(2,3)11-16)17(20)21-13-15-7-5-4-6-8-15/h4-8,14,16,19H,9-13H2,1-3H3.
What are the key properties of benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate?
benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate has a molecular weight of 289.42 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[(3,3-dimethylcyclopentyl)amino]-2-methylpropanoate is sourced from PubChem (CID 106484199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).