(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid

C7H15NO3 — CID 57426035

IUPAC(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
SMILESC[C@H]([C@H](N)C(=O)O)C(C)(C)O
InChIInChI=1S/C7H15NO3/c1-4(7(2,3)11)5(8)6(9)10/h4-5,11H,8H2,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyKVCDUAZUOLWUAZ-UHNVWZDZSA-N
MW161.20 g/mol
LogP-0.19
Rot. Bonds3

About (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid

(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid (PubChem CID 57426035) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
PubChem CID57426035
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid
SMILESC[C@H]([C@H](N)C(=O)O)C(C)(C)O
InChIInChI=1S/C7H15NO3/c1-4(7(2,3)11)5(8)6(9)10/h4-5,11H,8H2,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChIKeyKVCDUAZUOLWUAZ-UHNVWZDZSA-N
XLogP-0.19
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3,5,5-trimethylhexanoic acid
CID 175049210
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-(hydroxymethyl)butanedioic acid
CID 45122523
2,3-diamino-4,4-dimethylpentanoic acid
CID 116942173
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanedioic acid
CID 852
(2R,3R)-2,3-diaminobutanoic acid;dihydrochloride
CID 71463685
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2,3-diaminobutanoic acid;dihydrochloride
CID 15941603
2,3-diaminobutanoic acid;hydrobromide
CID 84819421
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid?
The IUPAC name of (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid (CID 57426035) is (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid.
What is the SMILES notation for (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid?
The canonical SMILES for (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid is C[C@H]([C@H](N)C(=O)O)C(C)(C)O.
What is the InChIKey of (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid?
The InChIKey is KVCDUAZUOLWUAZ-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(7(2,3)11)5(8)6(9)10/h4-5,11H,8H2,1-3H3,(H,9,10)/t4-,5+/m1/s1.
What are the key properties of (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid?
(2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-4-hydroxy-3,4-dimethylpentanoic acid is sourced from PubChem (CID 57426035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).