3-hydroxy-4-methyl-2-(methylamino)pentanoic acid

C7H15NO3 — CID 18354232

IUPAC3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(O)C(C)C
InChIInChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11)
InChIKeyZITVNNJPDQSVTI-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.32
Rot. Bonds4

About 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid

3-hydroxy-4-methyl-2-(methylamino)pentanoic acid (PubChem CID 18354232) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
PubChem CID18354232
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-hydroxy-4-methyl-2-(methylamino)pentanoic acid
SMILESCNC(C(=O)O)C(O)C(C)C
InChIInChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11)
InChIKeyZITVNNJPDQSVTI-UHFFFAOYSA-N
XLogP-0.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The IUPAC name of 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid (CID 18354232) is 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid.
What is the SMILES notation for 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The canonical SMILES for 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid is CNC(C(=O)O)C(O)C(C)C.
What is the InChIKey of 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
The InChIKey is ZITVNNJPDQSVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4(2)6(9)5(8-3)7(10)11/h4-6,8-9H,1-3H3,(H,10,11).
What are the key properties of 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid?
3-hydroxy-4-methyl-2-(methylamino)pentanoic acid has a molecular weight of 161.20 g/mol, XLogP of -0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2-(methylamino)pentanoic acid is sourced from PubChem (CID 18354232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).