2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid

C7H15NO3S — CID 103224311

IUPAC2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid
SMILESCOCC(SCC(C)N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-5(8)4-12-6(3-11-2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyJGGAGOBHZOTPBE-UHFFFAOYSA-N
MW193.27 g/mol
LogP0.17
Rot. Bonds6

About 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid

2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid (PubChem CID 103224311) has the molecular formula C7H15NO3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid
PubChem CID103224311
Molecular FormulaC7H15NO3S
Molecular Weight193.27 g/mol
Exact Mass193.08
IUPAC Name2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid
SMILESCOCC(SCC(C)N)C(=O)O
InChIInChI=1S/C7H15NO3S/c1-5(8)4-12-6(3-11-2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)
InChIKeyJGGAGOBHZOTPBE-UHFFFAOYSA-N
XLogP0.17
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-3-methoxy-3-oxopropyl)sulfanylpentanoic acid
CID 83040640
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-3-methoxypropanoic acid
CID 103224246
2-(2-aminopropylsulfanyl)acetic acid
CID 66217411
4-methoxy-2,3-dimethylbutanoic acid
CID 79418013
2-amino-3-(2-methoxyethoxy)propanoic acid
CID 20596399
4-amino-2-(3-methoxypropylsulfanyl)butanoic acid
CID 64694231
3-methoxy-2-(1,2,4-thiadiazol-5-ylsulfanyl)propanoic acid
CID 103224342
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
(2R)-2-aminooxy-3-methoxypropanoic acid
CID 124680851
(2R)-1-(2-methoxyethylsulfanyl)propan-2-amine
CID 104889147
2-[3-(2-ethoxyethoxy)-2-methyl-3-oxopropyl]sulfanylbutanedioic acid
CID 59705729
2-(5-amino-2-methylphenyl)sulfanyl-3-methoxypropanoic acid
CID 103224324

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid?
The IUPAC name of 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid (CID 103224311) is 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid is COCC(SCC(C)N)C(=O)O.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid?
The InChIKey is JGGAGOBHZOTPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3S/c1-5(8)4-12-6(3-11-2)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10).
What are the key properties of 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid?
2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid has a molecular weight of 193.27 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-3-methoxypropanoic acid is sourced from PubChem (CID 103224311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).