(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal

C7H15NO3 — CID 101409838

IUPAC(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal
SMILESC[C@@H](O)[C@H](O)[C@](C)(N)CC=O
InChIInChI=1S/C7H15NO3/c1-5(10)6(11)7(2,8)3-4-9/h4-6,10-11H,3,8H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyIJSNCWAAHIVVGJ-DSYKOEDSSA-N
MW161.20 g/mol
LogP-0.97
Rot. Bonds4

About (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal

(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal (PubChem CID 101409838) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal.

Molecular Properties

Compound Name(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal
PubChem CID101409838
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal
SMILESC[C@@H](O)[C@H](O)[C@](C)(N)CC=O
InChIInChI=1S/C7H15NO3/c1-5(10)6(11)7(2,8)3-4-9/h4-6,10-11H,3,8H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyIJSNCWAAHIVVGJ-DSYKOEDSSA-N
XLogP-0.97
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal 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

3,3,4,5-tetrahydroxyhexanal
CID 153409795
2,3,4-trihydroxy-2-(hydroxymethyl)pentanal
CID 130036048
(3S,4R)-3-fluoro-4-hydroxypentanal
CID 89287847
2-methyl-2-(methylamino)-4-oxobutanamide
CID 175751505
3-hydroxy-4-methoxy-3-methylpentanal
CID 114795398
(3S,4S,5R)-5-hydroxy-4-methoxy-3-methyl-3-nitrohexanal
CID 101194823
(3S,4R,5S)-5-hydroxy-4-methoxy-3-methyl-3-nitrohexanal
CID 5461036
3-amino-3-methylpentan-2-ol
CID 159077240
4-amino-3,3-dimethylbutanal
CID 18683027
2,2-dimethyl-4-oxo-N-propan-2-ylbutanamide
CID 141082926
3,3,15,15-tetramethyl-7,11-dioxoheptadecanedial
CID 23431384
(3S)-3-amino-3,7-dimethyloct-6-enal
CID 147415648

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal?
The IUPAC name of (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal (CID 101409838) is (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal.
What is the SMILES notation for (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal?
The canonical SMILES for (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal is C[C@@H](O)[C@H](O)[C@](C)(N)CC=O.
What is the InChIKey of (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal?
The InChIKey is IJSNCWAAHIVVGJ-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H15NO3/c1-5(10)6(11)7(2,8)3-4-9/h4-6,10-11H,3,8H2,1-2H3/t5-,6+,7-/m1/s1.
What are the key properties of (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal?
(3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal has a molecular weight of 161.20 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-amino-4,5-dihydroxy-3-methylhexanal is sourced from PubChem (CID 101409838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).