(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide

C10H14N2O2 — CID 57194593

IUPAC(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
SMILESNC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-8(9(13)10(12)14)6-7-4-2-1-3-5-7/h1-5,8-9,13H,6,11H2,(H2,12,14)/t8-,9-/m0/s1
InChIKeyJAYYJZZOYTVNHH-IUCAKERBSA-N
MW194.23 g/mol
LogP-0.60
Rot. Bonds4

About (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide

(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide (PubChem CID 57194593) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide.

Molecular Properties

Compound Name(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
PubChem CID57194593
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
SMILESNC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1
InChIInChI=1S/C10H14N2O2/c11-8(9(13)10(12)14)6-7-4-2-1-3-5-7/h1-5,8-9,13H,6,11H2,(H2,12,14)/t8-,9-/m0/s1
InChIKeyJAYYJZZOYTVNHH-IUCAKERBSA-N
XLogP-0.60
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
3-amino-4-(4-chlorophenyl)-2-hydroxybutanamide
CID 66719941
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
3-amino-2-hydroxy-4-[4-(trifluoromethyl)phenyl]butanamide
CID 153385822
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
(2S,3R)-3-amino-2-hydroxy-N-methoxy-N-methyl-4-phenylbutanamide
CID 57222497
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide?
The IUPAC name of (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide (CID 57194593) is (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide.
What is the SMILES notation for (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide?
The canonical SMILES for (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide is NC(=O)[C@@H](O)[C@@H](N)Cc1ccccc1.
What is the InChIKey of (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide?
The InChIKey is JAYYJZZOYTVNHH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8(9(13)10(12)14)6-7-4-2-1-3-5-7/h1-5,8-9,13H,6,11H2,(H2,12,14)/t8-,9-/m0/s1.
What are the key properties of (2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide?
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide has a molecular weight of 194.23 g/mol, XLogP of -0.60, 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-hydroxy-4-phenylbutanamide is sourced from PubChem (CID 57194593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).