methyl 2-hydroxypropanoate;hydrochloride

C4H9ClO3 — CID 87417627

IUPACmethyl 2-hydroxypropanoate;hydrochloride
SMILESCOC(=O)C(C)O.Cl
InChIInChI=1S/C4H8O3.ClH/c1-3(5)4(6)7-2;/h3,5H,1-2H3;1H
InChIKeyMRBFOPSPCKEESI-UHFFFAOYSA-N
MW140.57 g/mol
LogP-0.04
Rot. Bonds1

About methyl 2-hydroxypropanoate;hydrochloride

methyl 2-hydroxypropanoate;hydrochloride (PubChem CID 87417627) has the molecular formula C4H9ClO3 and a molecular weight of 140.57 g/mol. Its IUPAC name is methyl 2-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-hydroxypropanoate;hydrochloride
PubChem CID87417627
Molecular FormulaC4H9ClO3
Molecular Weight140.57 g/mol
Exact Mass140.02
IUPAC Namemethyl 2-hydroxypropanoate;hydrochloride
SMILESCOC(=O)C(C)O.Cl
InChIInChI=1S/C4H8O3.ClH/c1-3(5)4(6)7-2;/h3,5H,1-2H3;1H
InChIKeyMRBFOPSPCKEESI-UHFFFAOYSA-N
XLogP-0.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.57
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methanol;methyl 2-hydroxypropanoate
CID 157321309
methyl (2R)-2-fluoropropanoate;methyl (2S)-2-hydroxypropanoate
CID 159507124
2-hydroxy-2-methylpropanoic acid;methyl 2-hydroxypropanoate
CID 159015634
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
1-ethoxypropan-2-ol;methyl 2-hydroxypropanoate
CID 87696230
methyl 3-amino-2-hydroxybutanoate;hydrochloride
CID 135262653
methyl 2-aminopropanoate
CID 159707893
methyl 2-methylpropanoate;titanium
CID 174633551
(2-methoxy-2-oxoethyl) 2-hydroxypropanoate
CID 19788816
CID 173447398
CID 173447398

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxypropanoate;hydrochloride?
The IUPAC name of methyl 2-hydroxypropanoate;hydrochloride (CID 87417627) is methyl 2-hydroxypropanoate;hydrochloride.
What is the SMILES notation for methyl 2-hydroxypropanoate;hydrochloride?
The canonical SMILES for methyl 2-hydroxypropanoate;hydrochloride is COC(=O)C(C)O.Cl.
What is the InChIKey of methyl 2-hydroxypropanoate;hydrochloride?
The InChIKey is MRBFOPSPCKEESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.ClH/c1-3(5)4(6)7-2;/h3,5H,1-2H3;1H.
What are the key properties of methyl 2-hydroxypropanoate;hydrochloride?
methyl 2-hydroxypropanoate;hydrochloride has a molecular weight of 140.57 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 87417627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).