(2S,3S)-3-amino-2-hydroxyhexanoic acid

C6H13NO3 — CID 11205843

IUPAC(2S,3S)-3-amino-2-hydroxyhexanoic acid
SMILESCCC[C@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyOIFGOYXLBOWNGQ-WHFBIAKZSA-N
MW147.17 g/mol
LogP-0.44
Rot. Bonds4

About (2S,3S)-3-amino-2-hydroxyhexanoic acid

(2S,3S)-3-amino-2-hydroxyhexanoic acid (PubChem CID 11205843) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-hydroxyhexanoic acid.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-hydroxyhexanoic acid
PubChem CID11205843
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2S,3S)-3-amino-2-hydroxyhexanoic acid
SMILESCCC[C@H](N)[C@H](O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyOIFGOYXLBOWNGQ-WHFBIAKZSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-amino-2-hydroxyoctanoic acid
CID 10749769
(2S,3R)-3-amino-2-hydroxynonanoic acid
CID 87495768
(4S)-4-amino-3-hydroxyheptan-2-one
CID 58331979
2-[(1S)-1-aminobutyl]propanedioic acid
CID 118535919
ethane;ethyl 3-amino-2-hydroxyhexanoate
CID 143089421
methyl (2S,3R)-3-amino-2-hydroxyhexanoate
CID 56605369
methyl (3S)-3-amino-2-hydroxyhexanoate;hydrochloride
CID 90189651
(3S,4S)-4-amino-3-hydroxyheptanoic acid
CID 14753776
(2S,3S)-3-amino-N-ethyl-2-hydroxyhexanamide;dihydrochloride
CID 86762425
3-amino-2,4-dihydroxybutanoic acid
CID 14888070
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-hydroxyhexanoic acid?
The IUPAC name of (2S,3S)-3-amino-2-hydroxyhexanoic acid (CID 11205843) is (2S,3S)-3-amino-2-hydroxyhexanoic acid.
What is the SMILES notation for (2S,3S)-3-amino-2-hydroxyhexanoic acid?
The canonical SMILES for (2S,3S)-3-amino-2-hydroxyhexanoic acid is CCC[C@H](N)[C@H](O)C(=O)O.
What is the InChIKey of (2S,3S)-3-amino-2-hydroxyhexanoic acid?
The InChIKey is OIFGOYXLBOWNGQ-WHFBIAKZSA-N. The full InChI is InChI=1S/C6H13NO3/c1-2-3-4(7)5(8)6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-amino-2-hydroxyhexanoic acid?
(2S,3S)-3-amino-2-hydroxyhexanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-amino-2-hydroxyhexanoic acid is sourced from PubChem (CID 11205843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).