5-acetamido-4-hydroxyhexanoic acid

C8H15NO4 — CID 45119565

IUPAC5-acetamido-4-hydroxyhexanoic acid
SMILESCC(=O)NC(C)C(O)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5,7,11H,3-4H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyZFAFYKYGPNLVOC-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.26
Rot. Bonds5

About 5-acetamido-4-hydroxyhexanoic acid

5-acetamido-4-hydroxyhexanoic acid (PubChem CID 45119565) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-acetamido-4-hydroxyhexanoic acid.

Molecular Properties

Compound Name5-acetamido-4-hydroxyhexanoic acid
PubChem CID45119565
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-acetamido-4-hydroxyhexanoic acid
SMILESCC(=O)NC(C)C(O)CCC(=O)O
InChIInChI=1S/C8H15NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5,7,11H,3-4H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyZFAFYKYGPNLVOC-UHFFFAOYSA-N
XLogP-0.26
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
(2R)-2-acetamidopentanedioic acid
CID 161394708
(4S)-4-acetamido-5-fluoropentanoic acid
CID 13477559
2-[[4-[[4-[(4-acetamido-4-carboxybutanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 87414279
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
(4S)-4-acetamido-5-hydroxyhex-5-enoic acid
CID 58379239
4-acetamido-5,5-difluoropentanoic acid
CID 13050370
sodium;(2S)-2-acetamidopentanedioic acid;hydride
CID 174759802
(4S)-4-acetamido-5-oxopentanoic acid
CID 57465512
magnesium;hydride;4-methylpentanoic acid
CID 174689724
magnesium bis((2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-5-hydroxy-5-oxopentanoate)
CID 87992520
(2S)-3-acetamido-2-methylbutanoic acid
CID 87205249

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-4-hydroxyhexanoic acid?
The IUPAC name of 5-acetamido-4-hydroxyhexanoic acid (CID 45119565) is 5-acetamido-4-hydroxyhexanoic acid.
What is the SMILES notation for 5-acetamido-4-hydroxyhexanoic acid?
The canonical SMILES for 5-acetamido-4-hydroxyhexanoic acid is CC(=O)NC(C)C(O)CCC(=O)O.
What is the InChIKey of 5-acetamido-4-hydroxyhexanoic acid?
The InChIKey is ZFAFYKYGPNLVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-5(9-6(2)10)7(11)3-4-8(12)13/h5,7,11H,3-4H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 5-acetamido-4-hydroxyhexanoic acid?
5-acetamido-4-hydroxyhexanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-4-hydroxyhexanoic acid is sourced from PubChem (CID 45119565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).