benzyl (2S)-2-hydroxypropanoate

C10H12O3 — CID 11052238

IUPACbenzyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1
InChIKeyZYTLPUIDJRKAAM-QMMMGPOBSA-N
MW180.20 g/mol
LogP1.11
Rot. Bonds3

About benzyl (2S)-2-hydroxypropanoate

benzyl (2S)-2-hydroxypropanoate (PubChem CID 11052238) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is benzyl (2S)-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl (2S)-2-hydroxypropanoate
PubChem CID11052238
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namebenzyl (2S)-2-hydroxypropanoate
SMILESC[C@H](O)C(=O)OCc1ccccc1
InChIInChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1
InChIKeyZYTLPUIDJRKAAM-QMMMGPOBSA-N
XLogP1.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-hydroxypropanoate?
The IUPAC name of benzyl (2S)-2-hydroxypropanoate (CID 11052238) is benzyl (2S)-2-hydroxypropanoate.
What is the SMILES notation for benzyl (2S)-2-hydroxypropanoate?
The canonical SMILES for benzyl (2S)-2-hydroxypropanoate is C[C@H](O)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-hydroxypropanoate?
The InChIKey is ZYTLPUIDJRKAAM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1.
What are the key properties of benzyl (2S)-2-hydroxypropanoate?
benzyl (2S)-2-hydroxypropanoate has a molecular weight of 180.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-hydroxypropanoate is sourced from PubChem (CID 11052238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).