benzyl (2S)-2-cyclopropylpropanoate

C13H16O2 — CID 59779045

IUPACbenzyl (2S)-2-cyclopropylpropanoate
SMILESC[C@H](C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C13H16O2/c1-10(12-7-8-12)13(14)15-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyATULWBJTFFRVJF-JTQLQIEISA-N
MW204.27 g/mol
LogP2.78
Rot. Bonds4

About benzyl (2S)-2-cyclopropylpropanoate

benzyl (2S)-2-cyclopropylpropanoate (PubChem CID 59779045) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is benzyl (2S)-2-cyclopropylpropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-cyclopropylpropanoate
PubChem CID59779045
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namebenzyl (2S)-2-cyclopropylpropanoate
SMILESC[C@H](C(=O)OCc1ccccc1)C1CC1
InChIInChI=1S/C13H16O2/c1-10(12-7-8-12)13(14)15-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1
InChIKeyATULWBJTFFRVJF-JTQLQIEISA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl (2S)-3-cyclopropyl-2-methylpropanoate
CID 126562545
benzyl 2-(5-oxooxolan-2-yl)propanoate
CID 167309507
benzyl 2-(3-methyloxolan-2-yl)propanoate
CID 166754558
benzyl (2S)-2-aminopropanoate
CID 726858
benzyl N-(1,1-dicyclopropylpropan-2-yl)carbamate
CID 169081481
benzyl 2-(cyclopentylamino)propanoate
CID 123711216
benzyl 2-(1-iodo-5-methylazepan-4-yl)propanoate
CID 174381196
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
benzyl 2-(9-azabicyclo[3.3.1]nonan-9-yl)propanoate
CID 174258999
1-cyclopropylethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 130300909
benzyl (2R)-2-methyl-3-oxobutanoate
CID 101065434

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-cyclopropylpropanoate?
The IUPAC name of benzyl (2S)-2-cyclopropylpropanoate (CID 59779045) is benzyl (2S)-2-cyclopropylpropanoate.
What is the SMILES notation for benzyl (2S)-2-cyclopropylpropanoate?
The canonical SMILES for benzyl (2S)-2-cyclopropylpropanoate is C[C@H](C(=O)OCc1ccccc1)C1CC1.
What is the InChIKey of benzyl (2S)-2-cyclopropylpropanoate?
The InChIKey is ATULWBJTFFRVJF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16O2/c1-10(12-7-8-12)13(14)15-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m0/s1.
What are the key properties of benzyl (2S)-2-cyclopropylpropanoate?
benzyl (2S)-2-cyclopropylpropanoate has a molecular weight of 204.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-cyclopropylpropanoate is sourced from PubChem (CID 59779045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).