propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

C6H14ClNO3 — CID 131729419

IUPACpropyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
SMILESCCCOC(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-2-3-10-6(9)5(7)4-8;/h5,8H,2-4,7H2,1H3;1H/t5-;/m0./s1
InChIKeyCEHXSWHQMCWCOR-JEDNCBNOSA-N
MW183.63 g/mol
LogP-0.32
Rot. Bonds4

About propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride (PubChem CID 131729419) has the molecular formula C6H14ClNO3 and a molecular weight of 183.63 g/mol. Its IUPAC name is propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride.

Molecular Properties

Compound Namepropyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
PubChem CID131729419
Molecular FormulaC6H14ClNO3
Molecular Weight183.63 g/mol
Exact Mass183.07
IUPAC Namepropyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
SMILESCCCOC(=O)[C@@H](N)CO.Cl
InChIInChI=1S/C6H13NO3.ClH/c1-2-3-10-6(9)5(7)4-8;/h5,8H,2-4,7H2,1H3;1H/t5-;/m0./s1
InChIKeyCEHXSWHQMCWCOR-JEDNCBNOSA-N
XLogP-0.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
heptyl 2-amino-3-hydroxypropanoate
CID 14657672
2-hydroxyethyl (2S)-2-amino-3-hydroxypropanoate
CID 174781046
2-aminoacetic acid;hexadecyl (2S)-2-amino-3-hydroxypropanoate
CID 174820028
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
4-amino-2-methyl-5-oxo-5-propoxypentanoic acid
CID 154095903
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
(2R)-2-amino-2-(hydroxymethyl)butanoic acid;ethyl (2R)-2-amino-3-hydroxypropanoate
CID 88950690
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
propyl 2-amino-3-oxobutanoate
CID 174900765

Frequently Asked Questions

What is the IUPAC name of propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The IUPAC name of propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride (CID 131729419) is propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride.
What is the SMILES notation for propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The canonical SMILES for propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride is CCCOC(=O)[C@@H](N)CO.Cl.
What is the InChIKey of propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
The InChIKey is CEHXSWHQMCWCOR-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO3.ClH/c1-2-3-10-6(9)5(7)4-8;/h5,8H,2-4,7H2,1H3;1H/t5-;/m0./s1.
What are the key properties of propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride?
propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride is sourced from PubChem (CID 131729419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).