methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate

C8H10O4 — CID 15638338

IUPACmethyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](O)Cc1ccco1
InChIInChI=1S/C8H10O4/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7,9H,5H2,1H3/t7-/m0/s1
InChIKeyQPSYJACVCCIJOA-ZETCQYMHSA-N
MW170.16 g/mol
LogP0.36
Rot. Bonds3

About methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate

methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate (PubChem CID 15638338) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
PubChem CID15638338
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Namemethyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate
SMILESCOC(=O)[C@@H](O)Cc1ccco1
InChIInChI=1S/C8H10O4/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7,9H,5H2,1H3/t7-/m0/s1
InChIKeyQPSYJACVCCIJOA-ZETCQYMHSA-N
XLogP0.36
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 2-[(benzylamino)methyl]-3-(furan-2-yl)propanoate
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1-(furan-2-yl)propan-2-yl carbamate
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ethyl 2-amino-3-(furan-2-yl)propanoate
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2-(furan-2-yl)ethane-1,1-diol
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3-(furan-2-ylmethyl)pentane-2,4-dione
CID 101387929
2-(4-chlorophenyl)-3-(furan-2-yl)-N-methoxypropanamide
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate?
The IUPAC name of methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate (CID 15638338) is methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate?
The canonical SMILES for methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate is COC(=O)[C@@H](O)Cc1ccco1.
What is the InChIKey of methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate?
The InChIKey is QPSYJACVCCIJOA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10O4/c1-11-8(10)7(9)5-6-3-2-4-12-6/h2-4,7,9H,5H2,1H3/t7-/m0/s1.
What are the key properties of methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate?
methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate has a molecular weight of 170.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(furan-2-yl)-2-hydroxypropanoate is sourced from PubChem (CID 15638338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).