3-amino-2-hydroxy-3-methylpentanoic acid

C6H13NO3 — CID 55290367

IUPAC3-amino-2-hydroxy-3-methylpentanoic acid
SMILESCCC(C)(N)C(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-6(2,7)4(8)5(9)10/h4,8H,3,7H2,1-2H3,(H,9,10)
InChIKeyJOXFPXDEWRRCIV-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.44
Rot. Bonds3

About 3-amino-2-hydroxy-3-methylpentanoic acid

3-amino-2-hydroxy-3-methylpentanoic acid (PubChem CID 55290367) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-amino-2-hydroxy-3-methylpentanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-3-methylpentanoic acid
PubChem CID55290367
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-amino-2-hydroxy-3-methylpentanoic acid
SMILESCCC(C)(N)C(O)C(=O)O
InChIInChI=1S/C6H13NO3/c1-3-6(2,7)4(8)5(9)10/h4,8H,3,7H2,1-2H3,(H,9,10)
InChIKeyJOXFPXDEWRRCIV-UHFFFAOYSA-N
XLogP-0.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-3-methylpentanoic acid?
The IUPAC name of 3-amino-2-hydroxy-3-methylpentanoic acid (CID 55290367) is 3-amino-2-hydroxy-3-methylpentanoic acid.
What is the SMILES notation for 3-amino-2-hydroxy-3-methylpentanoic acid?
The canonical SMILES for 3-amino-2-hydroxy-3-methylpentanoic acid is CCC(C)(N)C(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxy-3-methylpentanoic acid?
The InChIKey is JOXFPXDEWRRCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-6(2,7)4(8)5(9)10/h4,8H,3,7H2,1-2H3,(H,9,10).
What are the key properties of 3-amino-2-hydroxy-3-methylpentanoic acid?
3-amino-2-hydroxy-3-methylpentanoic acid has a molecular weight of 147.17 g/mol, XLogP of -0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-3-methylpentanoic acid is sourced from PubChem (CID 55290367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).