methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride

C7H16ClNO3 — CID 90189651

IUPACmethyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
SMILESCCC[C@H](N)C(O)C(=O)OC.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-3-4-5(8)6(9)7(10)11-2;/h5-6,9H,3-4,8H2,1-2H3;1H/t5-,6?;/m0./s1
InChIKeyHSQVPYQPNGXBSB-GNVLWMSISA-N
MW197.66 g/mol
LogP0.07
Rot. Bonds4

About methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride

methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride (PubChem CID 90189651) has the molecular formula C7H16ClNO3 and a molecular weight of 197.66 g/mol. Its IUPAC name is methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
PubChem CID90189651
Molecular FormulaC7H16ClNO3
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Namemethyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
SMILESCCC[C@H](N)C(O)C(=O)OC.Cl
InChIInChI=1S/C7H15NO3.ClH/c1-3-4-5(8)6(9)7(10)11-2;/h5-6,9H,3-4,8H2,1-2H3;1H/t5-,6?;/m0./s1
InChIKeyHSQVPYQPNGXBSB-GNVLWMSISA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
(2S,3S)-3-amino-2-hydroxyhexanoic acid
CID 11205843
methyl (2R,3S)-3-amino-5,5-difluoro-2-hydroxypentanoate;hydrochloride
CID 87591230
methyl 2-hydroxypentanoate
CID 543619
methyl 2-aminopentanoate
CID 533890
(1-carbamoylcyclopropyl) 3-amino-2-hydroxyhexanoate;hydrochloride
CID 174567054
methyl (2R)-2-methoxypentanoate
CID 30403288
(3S)-3-amino-N-cyclopropyl-2-hydroxyhexanamide
CID 23634853
3-amino-2-hydroxy-N-[(2S)-3-methylbutan-2-yl]hexanamide
CID 142118919

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride?
The IUPAC name of methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride (CID 90189651) is methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride.
What is the SMILES notation for methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride?
The canonical SMILES for methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride is CCC[C@H](N)C(O)C(=O)OC.Cl.
What is the InChIKey of methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride?
The InChIKey is HSQVPYQPNGXBSB-GNVLWMSISA-N. The full InChI is InChI=1S/C7H15NO3.ClH/c1-3-4-5(8)6(9)7(10)11-2;/h5-6,9H,3-4,8H2,1-2H3;1H/t5-,6?;/m0./s1.
What are the key properties of methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride?
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride is sourced from PubChem (CID 90189651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).