4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide

C14H29NO4S — CID 144656184

IUPAC4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide
SMILESCC(C)(CCO)C(=O)O.CSCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NOS.C6H12O3/c1-7(2)4-5-9-8(10)6-11-3;1-6(2,3-4-7)5(8)9/h7H,4-6H2,1-3H3,(H,9,10);7H,3-4H2,1-2H3,(H,8,9)
InChIKeySQXIRAWZKBHOOP-UHFFFAOYSA-N
MW307.46 g/mol
LogP1.99
Rot. Bonds8

About 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide

4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide (PubChem CID 144656184) has the molecular formula C14H29NO4S and a molecular weight of 307.46 g/mol. Its IUPAC name is 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound Name4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide
PubChem CID144656184
Molecular FormulaC14H29NO4S
Molecular Weight307.46 g/mol
Exact Mass307.18
IUPAC Name4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide
SMILESCC(C)(CCO)C(=O)O.CSCC(=O)NCCC(C)C
InChIInChI=1S/C8H17NOS.C6H12O3/c1-7(2)4-5-9-8(10)6-11-3;1-6(2,3-4-7)5(8)9/h7H,4-6H2,1-3H3,(H,9,10);7H,3-4H2,1-2H3,(H,8,9)
InChIKeySQXIRAWZKBHOOP-UHFFFAOYSA-N
XLogP1.99
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide 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

2-[(4-hydroxy-2,2-dimethylbutyl)amino]-N-(3-methylbutyl)acetamide
CID 106146856
2-hydroxy-4-[(2-methylsulfanylacetyl)amino]butanoic acid
CID 107831703
(2S)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107773461
(2R)-2-amino-3-[2-(3-methylbutylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 61141834
2,2-dimethyl-3-[[2-(3-methylbutylsulfanyl)acetyl]amino]propanoic acid
CID 119249698
4,4-dimethyl-6-[[2-(3-methylbutylamino)-2-oxoethyl]amino]hexanoic acid
CID 65287517
3-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)propanamide;4-hydroxy-2,2-dimethylbutanehydrazide
CID 143678940
4,4-dimethyl-N-(3-methylbutyl)pentanamide
CID 135139773
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
3,3-dimethyl-N-(3-methylbutyl)butanamide
CID 4634731
3-methyl-3-(methylamino)butan-1-ol;2,2,4,4-tetramethyl-5-[4-[2-methyl-4-(3-methylbutylamino)-4-oxobutan-2-yl]oxybutan-2-ylamino]sulfanyl-5-oxopentanoic acid
CID 145279244
1-(4-hydroxy-2,2-dimethylbutyl)-3-(3-methylbutyl)urea
CID 111503761

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide?
The IUPAC name of 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide (CID 144656184) is 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide.
What is the SMILES notation for 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide?
The canonical SMILES for 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide is CC(C)(CCO)C(=O)O.CSCC(=O)NCCC(C)C.
What is the InChIKey of 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide?
The InChIKey is SQXIRAWZKBHOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.C6H12O3/c1-7(2)4-5-9-8(10)6-11-3;1-6(2,3-4-7)5(8)9/h7H,4-6H2,1-3H3,(H,9,10);7H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide?
4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide has a molecular weight of 307.46 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,2-dimethylbutanoic acid;N-(3-methylbutyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 144656184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).