methyl 3-amino-2-hydroxybutanoate;hydrochloride

C5H12ClNO3 — CID 135262653

IUPACmethyl 3-amino-2-hydroxybutanoate;hydrochloride
SMILESCOC(=O)C(O)C(C)N.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-3(6)4(7)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H
InChIKeyUXXQVTQJOXINIB-UHFFFAOYSA-N
MW169.61 g/mol
LogP-0.71
Rot. Bonds2

About methyl 3-amino-2-hydroxybutanoate;hydrochloride

methyl 3-amino-2-hydroxybutanoate;hydrochloride (PubChem CID 135262653) has the molecular formula C5H12ClNO3 and a molecular weight of 169.61 g/mol. Its IUPAC name is methyl 3-amino-2-hydroxybutanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-hydroxybutanoate;hydrochloride
PubChem CID135262653
Molecular FormulaC5H12ClNO3
Molecular Weight169.61 g/mol
Exact Mass169.05
IUPAC Namemethyl 3-amino-2-hydroxybutanoate;hydrochloride
SMILESCOC(=O)C(O)C(C)N.Cl
InChIInChI=1S/C5H11NO3.ClH/c1-3(6)4(7)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H
InChIKeyUXXQVTQJOXINIB-UHFFFAOYSA-N
XLogP-0.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.61
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R,3R)-3-amino-2,3-dihydroxypropanoate
CID 135210741
dimethyl (2S)-2-amino-3-hydroxybutanedioate
CID 11030367
methyl (2S)-2-hydroxypropanoate;hydrochloride
CID 88631623
methyl 2-hydroxypropanoate;hydrochloride
CID 87417627
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
methyl (2S,3R)-2-hydroxy-3-methylpentanoate
CID 13262415
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248
methyl (2R,3R)-2-hydroxy-3-methylpentanoate
CID 13262413
methyl 2-aminopropanoate
CID 159707893
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl (2S)-3,3-difluoro-2-hydroxypropanoate
CID 178200832
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-hydroxybutanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-hydroxybutanoate;hydrochloride (CID 135262653) is methyl 3-amino-2-hydroxybutanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-hydroxybutanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-hydroxybutanoate;hydrochloride is COC(=O)C(O)C(C)N.Cl.
What is the InChIKey of methyl 3-amino-2-hydroxybutanoate;hydrochloride?
The InChIKey is UXXQVTQJOXINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.ClH/c1-3(6)4(7)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H.
What are the key properties of methyl 3-amino-2-hydroxybutanoate;hydrochloride?
methyl 3-amino-2-hydroxybutanoate;hydrochloride has a molecular weight of 169.61 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-hydroxybutanoate;hydrochloride is sourced from PubChem (CID 135262653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).