(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride

C10H16ClNO2 — CID 139714865

IUPAC(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)[C@H](O)CO
InChIInChI=1S/C10H15NO2.ClH/c11-9(10(13)7-12)6-8-4-2-1-3-5-8;/h1-5,9-10,12-13H,6-7,11H2;1H/t9-,10+;/m0./s1
InChIKeySOZIEONLDZNAQA-BAUSSPIASA-N
MW217.70 g/mol
LogP0.33
Rot. Bonds4

About (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride

(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride (PubChem CID 139714865) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
PubChem CID139714865
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride
SMILESCl.N[C@@H](Cc1ccccc1)[C@H](O)CO
InChIInChI=1S/C10H15NO2.ClH/c11-9(10(13)7-12)6-8-4-2-1-3-5-8;/h1-5,9-10,12-13H,6-7,11H2;1H/t9-,10+;/m0./s1
InChIKeySOZIEONLDZNAQA-BAUSSPIASA-N
XLogP0.33
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-3-amino-4-phenylbutane-1,2-diol
CID 11789833
(2S,3S,5R)-2,5-diamino-1,6-diphenylhexan-3-ol
CID 22885973
(2R,3R)-3-amino-1-chloro-4-phenylbutan-2-ol
CID 89399982
2-amino-3-phenylpropan-1-ol;methanamine
CID 162684961
(3R,4S)-4-amino-3-hydroxy-5-phenylpentanenitrile
CID 70364729
(2R,3S)-3-amino-1-nitro-4-phenylbutan-2-ol;hydrochloride
CID 71519985
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
(2R,3S)-3-amino-1-(benzylamino)-4-phenylbutan-2-ol
CID 57428240
3,4-diamino-1-phenylbutan-2-ol
CID 66646271
(2S,3S,4S,5S)-7-phenylheptane-1,2,3,4,5,6-hexol
CID 159388961
(4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)-N-methyl-6-phenylhexanamide
CID 57148272
3-amino-1-phenylpentan-2-ol
CID 57155399

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride?
The IUPAC name of (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride (CID 139714865) is (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride.
What is the SMILES notation for (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride?
The canonical SMILES for (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride is Cl.N[C@@H](Cc1ccccc1)[C@H](O)CO.
What is the InChIKey of (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride?
The InChIKey is SOZIEONLDZNAQA-BAUSSPIASA-N. The full InChI is InChI=1S/C10H15NO2.ClH/c11-9(10(13)7-12)6-8-4-2-1-3-5-8;/h1-5,9-10,12-13H,6-7,11H2;1H/t9-,10+;/m0./s1.
What are the key properties of (2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride?
(2S,3S)-3-amino-4-phenylbutane-1,2-diol;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.33, 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-4-phenylbutane-1,2-diol;hydrochloride is sourced from PubChem (CID 139714865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).