4-amino-5-hydroxy-6-methylheptanoic acid

C8H17NO3 — CID 91339915

IUPAC4-amino-5-hydroxy-6-methylheptanoic acid
SMILESCC(C)C(O)C(N)CCC(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6,8,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyGDSLBTNYIJAZJS-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.20
Rot. Bonds5

About 4-amino-5-hydroxy-6-methylheptanoic acid

4-amino-5-hydroxy-6-methylheptanoic acid (PubChem CID 91339915) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-amino-5-hydroxy-6-methylheptanoic acid.

Molecular Properties

Compound Name4-amino-5-hydroxy-6-methylheptanoic acid
PubChem CID91339915
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name4-amino-5-hydroxy-6-methylheptanoic acid
SMILESCC(C)C(O)C(N)CCC(=O)O
InChIInChI=1S/C8H17NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6,8,12H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyGDSLBTNYIJAZJS-UHFFFAOYSA-N
XLogP0.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4S)-4-amino-2,3-dihydroxyheptanedioic acid
CID 91155039
4-amino-5-fluorohexanoic acid
CID 78098113
(4R,5R)-4-amino-5-methylheptanoic acid;hydrochloride
CID 55254083
4-aminopentanoic acid;ethane
CID 143436801
(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
4-amino-5-[bis(2-aminoethyl)amino]hexanoic acid
CID 141222320
1-aminoethanol;butanoic acid
CID 173051358
(4R)-4-amino-6-methyl-5-oxoheptanoic acid
CID 139478351
5-oxo-4-propan-2-yloxycarbonylhexanoic acid
CID 156704786
4-fluoro-5-methylhexanoic acid
CID 83855194
(4S)-4-amino-5-methylhexanamide
CID 90463437

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-6-methylheptanoic acid?
The IUPAC name of 4-amino-5-hydroxy-6-methylheptanoic acid (CID 91339915) is 4-amino-5-hydroxy-6-methylheptanoic acid.
What is the SMILES notation for 4-amino-5-hydroxy-6-methylheptanoic acid?
The canonical SMILES for 4-amino-5-hydroxy-6-methylheptanoic acid is CC(C)C(O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-hydroxy-6-methylheptanoic acid?
The InChIKey is GDSLBTNYIJAZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-5(2)8(12)6(9)3-4-7(10)11/h5-6,8,12H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 4-amino-5-hydroxy-6-methylheptanoic acid?
4-amino-5-hydroxy-6-methylheptanoic acid has a molecular weight of 175.23 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-6-methylheptanoic acid is sourced from PubChem (CID 91339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).