benzyl (2S)-2-acetamido-2-cyclopentylacetate

C16H21NO3 — CID 155326038

IUPACbenzyl (2S)-2-acetamido-2-cyclopentylacetate
SMILESCC(=O)N[C@H](C(=O)OCc1ccccc1)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-12(18)17-15(14-9-5-6-10-14)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyUGEPLKAPPWXILG-HNNXBMFYSA-N
MW275.35 g/mol
LogP2.42
Rot. Bonds5

About benzyl (2S)-2-acetamido-2-cyclopentylacetate

benzyl (2S)-2-acetamido-2-cyclopentylacetate (PubChem CID 155326038) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl (2S)-2-acetamido-2-cyclopentylacetate.

Molecular Properties

Compound Namebenzyl (2S)-2-acetamido-2-cyclopentylacetate
PubChem CID155326038
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl (2S)-2-acetamido-2-cyclopentylacetate
SMILESCC(=O)N[C@H](C(=O)OCc1ccccc1)C1CCCC1
InChIInChI=1S/C16H21NO3/c1-12(18)17-15(14-9-5-6-10-14)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1
InChIKeyUGEPLKAPPWXILG-HNNXBMFYSA-N
XLogP2.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]phenyl]methyl 2-acetamido-2-cyclopentylacetate
CID 55562015
2-acetamido-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 51271986
methyl 4-[2-(2-acetamido-2-cyclopentylacetyl)hydrazinyl]-2-benzyl-4-oxobutanoate
CID 67140444
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
benzyl (3S)-3-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]carbamoyl]-4-methylpentanoate
CID 59137199
benzyl 2-(methoxycarbonylamino)-2-(8-oxabicyclo[3.2.1]octan-3-yl)acetate
CID 123278587
[(1S)-1-cyclohexylethyl] (2S)-2-acetamido-3-phenylpropanoate
CID 90680452
(4-methylphenyl) 2-acetamido-2-cyclopentylacetate
CID 47126836
benzyl 2-cyclopropyl-2-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]acetate
CID 11795522
(2,5-dioxopyrrolidin-1-yl) (2R)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetate
CID 154815014
benzyl N-[3-[[(1R)-1-cyclohexylethyl]amino]cyclobutyl]carbamate
CID 103393619

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-acetamido-2-cyclopentylacetate?
The IUPAC name of benzyl (2S)-2-acetamido-2-cyclopentylacetate (CID 155326038) is benzyl (2S)-2-acetamido-2-cyclopentylacetate.
What is the SMILES notation for benzyl (2S)-2-acetamido-2-cyclopentylacetate?
The canonical SMILES for benzyl (2S)-2-acetamido-2-cyclopentylacetate is CC(=O)N[C@H](C(=O)OCc1ccccc1)C1CCCC1.
What is the InChIKey of benzyl (2S)-2-acetamido-2-cyclopentylacetate?
The InChIKey is UGEPLKAPPWXILG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-12(18)17-15(14-9-5-6-10-14)16(19)20-11-13-7-3-2-4-8-13/h2-4,7-8,14-15H,5-6,9-11H2,1H3,(H,17,18)/t15-/m0/s1.
What are the key properties of benzyl (2S)-2-acetamido-2-cyclopentylacetate?
benzyl (2S)-2-acetamido-2-cyclopentylacetate has a molecular weight of 275.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-acetamido-2-cyclopentylacetate is sourced from PubChem (CID 155326038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).