4-amino-2-propylsulfanylbutanoic acid

C7H15NO2S — CID 64695267

IUPAC4-amino-2-propylsulfanylbutanoic acid
SMILESCCCSC(CCN)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-2-5-11-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyWRRLETQFOFSRLO-UHFFFAOYSA-N
MW177.27 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-2-propylsulfanylbutanoic acid

4-amino-2-propylsulfanylbutanoic acid (PubChem CID 64695267) has the molecular formula C7H15NO2S and a molecular weight of 177.27 g/mol. Its IUPAC name is 4-amino-2-propylsulfanylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-propylsulfanylbutanoic acid
PubChem CID64695267
Molecular FormulaC7H15NO2S
Molecular Weight177.27 g/mol
Exact Mass177.08
IUPAC Name4-amino-2-propylsulfanylbutanoic acid
SMILESCCCSC(CCN)C(=O)O
InChIInChI=1S/C7H15NO2S/c1-2-5-11-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChIKeyWRRLETQFOFSRLO-UHFFFAOYSA-N
XLogP0.93
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-(3-methoxypropylsulfanyl)butanoic acid
CID 64694231
2-dodecylsulfanylhexanoic acid
CID 89266983
2-hexadecylsulfanylhexanoic acid
CID 58722589
3-methyl-2-propylsulfanylbutanoic acid
CID 43188406
(2R)-2-ethylsulfanylpentanoic acid
CID 1201456
2-[2-(diethylamino)ethylsulfanyl]pentanoic acid
CID 83038190
4-amino-2-(3-methylbutan-2-ylsulfanyl)butanoic acid
CID 107767377
2-(7,7-difluoroheptylsulfanyl)pentanoic acid
CID 87341983
2-(3-triethoxysilylpropylsulfanyl)hexanoic acid
CID 88876856
2-undecylsulfanylbutanoic acid
CID 175534549
2-(5,5,5-trifluoropentylsulfanyl)hexanoic acid
CID 87340578
2-(4,4-difluoropentylsulfanyl)pentanoic acid
CID 87341853

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-propylsulfanylbutanoic acid?
The IUPAC name of 4-amino-2-propylsulfanylbutanoic acid (CID 64695267) is 4-amino-2-propylsulfanylbutanoic acid.
What is the SMILES notation for 4-amino-2-propylsulfanylbutanoic acid?
The canonical SMILES for 4-amino-2-propylsulfanylbutanoic acid is CCCSC(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-propylsulfanylbutanoic acid?
The InChIKey is WRRLETQFOFSRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S/c1-2-5-11-6(3-4-8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-2-propylsulfanylbutanoic acid?
4-amino-2-propylsulfanylbutanoic acid has a molecular weight of 177.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-propylsulfanylbutanoic acid is sourced from PubChem (CID 64695267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).