2-amino-3-hydroxy-4-methoxypentanoic acid

C6H13NO4 — CID 131223230

IUPAC2-amino-3-hydroxy-4-methoxypentanoic acid
SMILESCOC(C)C(O)C(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-3(11-2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)
InChIKeyVVWUVPQYTZQMTM-UHFFFAOYSA-N
MW163.17 g/mol
LogP-1.21
Rot. Bonds4

About 2-amino-3-hydroxy-4-methoxypentanoic acid

2-amino-3-hydroxy-4-methoxypentanoic acid (PubChem CID 131223230) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-methoxypentanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-methoxypentanoic acid
PubChem CID131223230
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-amino-3-hydroxy-4-methoxypentanoic acid
SMILESCOC(C)C(O)C(N)C(=O)O
InChIInChI=1S/C6H13NO4/c1-3(11-2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10)
InChIKeyVVWUVPQYTZQMTM-UHFFFAOYSA-N
XLogP-1.21
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-hydroxy-4-methoxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxybutanoyl]oxybutanoic acid
CID 87087959
(2R,3R)-2-amino-3-methoxy-4-methylpentanoic acid
CID 131230204
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
3-amino-4-methoxypentan-2-one
CID 58914399
(2S,3R)-2-amino-3-hydroperoxybutanoic acid
CID 87435001
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
2,3-dihydroxybutanedioic acid;bis(1-methoxyethanamine)
CID 174560140
(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
CID 54372856
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
(2S)-2-amino-3,4-dihydroxypentanedioic acid
CID 22790188
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(2S,3R)-2-amino-3-hydroxy-4-methoxy-4-oxobutanoic acid
CID 11008248

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-methoxypentanoic acid?
The IUPAC name of 2-amino-3-hydroxy-4-methoxypentanoic acid (CID 131223230) is 2-amino-3-hydroxy-4-methoxypentanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-4-methoxypentanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-4-methoxypentanoic acid is COC(C)C(O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxy-4-methoxypentanoic acid?
The InChIKey is VVWUVPQYTZQMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3(11-2)5(8)4(7)6(9)10/h3-5,8H,7H2,1-2H3,(H,9,10).
What are the key properties of 2-amino-3-hydroxy-4-methoxypentanoic acid?
2-amino-3-hydroxy-4-methoxypentanoic acid has a molecular weight of 163.17 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-methoxypentanoic acid is sourced from PubChem (CID 131223230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).