benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate

C20H31NO2 — CID 59978108

IUPACbenzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCc1ccccc1)N(C)CC1CCCC1
InChIInChI=1S/C20H31NO2/c1-16(2)13-19(21(3)14-17-9-7-8-10-17)20(22)23-15-18-11-5-4-6-12-18/h4-6,11-12,16-17,19H,7-10,13-15H2,1-3H3
InChIKeyFUYBXJAJCYIKRI-UHFFFAOYSA-N
MW317.47 g/mol
LogP4.27
Rot. Bonds8

About benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate

benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate (PubChem CID 59978108) has the molecular formula C20H31NO2 and a molecular weight of 317.47 g/mol. Its IUPAC name is benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namebenzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate
PubChem CID59978108
Molecular FormulaC20H31NO2
Molecular Weight317.47 g/mol
Exact Mass317.24
IUPAC Namebenzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate
SMILESCC(C)CC(C(=O)OCc1ccccc1)N(C)CC1CCCC1
InChIInChI=1S/C20H31NO2/c1-16(2)13-19(21(3)14-17-9-7-8-10-17)20(22)23-15-18-11-5-4-6-12-18/h4-6,11-12,16-17,19H,7-10,13-15H2,1-3H3
InChIKeyFUYBXJAJCYIKRI-UHFFFAOYSA-N
XLogP4.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-methyl-2-[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]pentanoate;hydrochloride
CID 158388388
benzyl 2-[ethyl(methyl)amino]-4-methylpentanoate
CID 142105808
benzyl (2R)-2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 46217033
benzyl 2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidin-2-yl]methyl-methylamino]-4-methylpentanoate
CID 58649444
benzyl 2-[cyclohexen-1-yl(methyl)amino]-4-methylpentanoate
CID 57212324
2-[cyclohexylmethyl(methyl)amino]-4-methyl-N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperidin-1-ylpropan-2-yl]pentanamide
CID 54176752
N-benzyl-2-[cyclohexylmethyl(methyl)amino]-N-methylpropanamide
CID 112818359
4-methyl-2-phenylmethoxycarbonylpentanoic acid
CID 54223940
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
(2S)-N-[(2S)-1-[benzyl(piperidin-4-yl)amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]-2-[cyclohexylmethyl(methyl)amino]-4-methylpentanamide
CID 70069585
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate?
The IUPAC name of benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate (CID 59978108) is benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate.
What is the SMILES notation for benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate?
The canonical SMILES for benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate is CC(C)CC(C(=O)OCc1ccccc1)N(C)CC1CCCC1.
What is the InChIKey of benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate?
The InChIKey is FUYBXJAJCYIKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2/c1-16(2)13-19(21(3)14-17-9-7-8-10-17)20(22)23-15-18-11-5-4-6-12-18/h4-6,11-12,16-17,19H,7-10,13-15H2,1-3H3.
What are the key properties of benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate?
benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate has a molecular weight of 317.47 g/mol, XLogP of 4.27, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[cyclopentylmethyl(methyl)amino]-4-methylpentanoate is sourced from PubChem (CID 59978108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).