(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide

C8H16N2O4 — CID 87708395

IUPAC(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide
SMILESCC(=O)NC(=O)C[C@@H](O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C8H16N2O4/c1-4(11)8(9)6(13)3-7(14)10-5(2)12/h4,6,8,11,13H,3,9H2,1-2H3,(H,10,12,14)/t4-,6-,8+/m1/s1
InChIKeyAOZNUFMULCBLFC-DVZGVGDCSA-N
MW204.23 g/mol
LogP-1.89
Rot. Bonds4

About (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide

(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide (PubChem CID 87708395) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide.

Molecular Properties

Compound Name(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide
PubChem CID87708395
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide
SMILESCC(=O)NC(=O)C[C@@H](O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C8H16N2O4/c1-4(11)8(9)6(13)3-7(14)10-5(2)12/h4,6,8,11,13H,3,9H2,1-2H3,(H,10,12,14)/t4-,6-,8+/m1/s1
InChIKeyAOZNUFMULCBLFC-DVZGVGDCSA-N
XLogP-1.89
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetamido-2-hydroxy-4-oxobutanoic acid
CID 87576965
N-acetyl-3-methyl-4-oxobutanamide;ethane;propane
CID 143333813
3-aminohexane-2,4-diol
CID 144515569
N-acetyl-4-methyl-3-oxopentanamide
CID 12820668
N-acetyl-2-chloroacetamide
CID 2366697
N-(2,3-dihydroxybutyl)acetamide
CID 91533638
3-(2-acetamido-2-oxoethyl)sulfanyl-2-aminopropanoic acid
CID 155907009
ethyl 4-amino-3-hydroxy-5-methylhexanoate
CID 11424041
(2S)-2-amino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 18652043
acetic acid;1-aminoethanol
CID 87647185
(3-acetamido-3-oxopropyl) acetate
CID 20757985
N-acetyl-2-methylbutanamide
CID 59565834

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide?
The IUPAC name of (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide (CID 87708395) is (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide.
What is the SMILES notation for (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide?
The canonical SMILES for (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide is CC(=O)NC(=O)C[C@@H](O)[C@@H](N)[C@@H](C)O.
What is the InChIKey of (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide?
The InChIKey is AOZNUFMULCBLFC-DVZGVGDCSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-4(11)8(9)6(13)3-7(14)10-5(2)12/h4,6,8,11,13H,3,9H2,1-2H3,(H,10,12,14)/t4-,6-,8+/m1/s1.
What are the key properties of (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide?
(3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide has a molecular weight of 204.23 g/mol, XLogP of -1.89, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5R)-N-acetyl-4-amino-3,5-dihydroxyhexanamide is sourced from PubChem (CID 87708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).