(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol

C7H17NO4 — CID 174830417

IUPAC(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
SMILESCCCO.C[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3.C3H8O/c1-2(6)3(5)4(7)8;1-2-3-4/h2-3,6H,5H2,1H3,(H,7,8);4H,2-3H2,1H3/t2-,3+;/m1./s1
InChIKeyHVBMEZBGMZIJNP-MUWMCQJSSA-N
MW179.22 g/mol
LogP-0.83
Rot. Bonds3

About (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol

(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol (PubChem CID 174830417) has the molecular formula C7H17NO4 and a molecular weight of 179.22 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
PubChem CID174830417
Molecular FormulaC7H17NO4
Molecular Weight179.22 g/mol
Exact Mass179.12
IUPAC Name(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
SMILESCCCO.C[C@@H](O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9NO3.C3H8O/c1-2(6)3(5)4(7)8;1-2-3-4/h2-3,6H,5H2,1H3,(H,7,8);4H,2-3H2,1H3/t2-,3+;/m1./s1
InChIKeyHVBMEZBGMZIJNP-MUWMCQJSSA-N
XLogP-0.83
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
2-amino-3-hydroxybutanoic acid;hexane-1,2,3,4,5,6-hexol
CID 174656695
2-amino-3-hydroxybutanoic acid;2-oxobutanoic acid
CID 19098050
CID 87185843
CID 87185843
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol?
The IUPAC name of (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol (CID 174830417) is (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol is CCCO.C[C@@H](O)[C@H](N)C(=O)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol?
The InChIKey is HVBMEZBGMZIJNP-MUWMCQJSSA-N. The full InChI is InChI=1S/C4H9NO3.C3H8O/c1-2(6)3(5)4(7)8;1-2-3-4/h2-3,6H,5H2,1H3,(H,7,8);4H,2-3H2,1H3/t2-,3+;/m1./s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol?
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol has a molecular weight of 179.22 g/mol, XLogP of -0.83, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol is sourced from PubChem (CID 174830417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).