2-(2-aminopropylsulfanyl)acetic acid

C5H11NO2S — CID 66217411

IUPAC2-(2-aminopropylsulfanyl)acetic acid
SMILESCC(N)CSCC(=O)O
InChIInChI=1S/C5H11NO2S/c1-4(6)2-9-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyDTQHHOLRBVGAIZ-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.15
Rot. Bonds4

About 2-(2-aminopropylsulfanyl)acetic acid

2-(2-aminopropylsulfanyl)acetic acid (PubChem CID 66217411) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)acetic acid.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)acetic acid
PubChem CID66217411
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-(2-aminopropylsulfanyl)acetic acid
SMILESCC(N)CSCC(=O)O
InChIInChI=1S/C5H11NO2S/c1-4(6)2-9-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChIKeyDTQHHOLRBVGAIZ-UHFFFAOYSA-N
XLogP0.15
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-(carboxymethylsulfanyl)-2-methylpropanoic acid
CID 88779681
(2R)-2-amino-3-(carboxymethylsulfanyl)propanoic acid;azane;hydrate
CID 71539035
2-[3-(carboxymethylsulfanyl)-2-hydroxypropyl]sulfanylacetic acid
CID 71360068
azanium (2R)-2-amino-3-(carboxymethylsulfanyl)propanoate
CID 141310165
2-(2-aminopropylsulfanyl)-N-(3-methylbutyl)acetamide
CID 66219969
2-(2-aminopropylsulfanyl)-N-(propan-2-ylcarbamoyl)acetamide
CID 66218210
2-(2-aminopropylsulfanyl)-N-(2-methylbutan-2-yl)acetamide
CID 66217234
N-[2-(2-aminopropylsulfanyl)acetyl]-2-phenylacetamide
CID 66217235
2-(2-aminopropylsulfanyl)-N-benzylacetamide
CID 66220422
1-(2,3-dichloroprop-2-enylsulfanyl)propan-2-amine
CID 79173660
2-(2-aminopropylsulfanyl)-N-(6-methylheptan-2-yl)acetamide
CID 66217982
2-(2-aminopropylsulfanyl)-N-(2-cyanoethyl)acetamide
CID 66219221

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)acetic acid?
The IUPAC name of 2-(2-aminopropylsulfanyl)acetic acid (CID 66217411) is 2-(2-aminopropylsulfanyl)acetic acid.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)acetic acid?
The canonical SMILES for 2-(2-aminopropylsulfanyl)acetic acid is CC(N)CSCC(=O)O.
What is the InChIKey of 2-(2-aminopropylsulfanyl)acetic acid?
The InChIKey is DTQHHOLRBVGAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-4(6)2-9-3-5(7)8/h4H,2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-(2-aminopropylsulfanyl)acetic acid?
2-(2-aminopropylsulfanyl)acetic acid has a molecular weight of 149.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)acetic acid is sourced from PubChem (CID 66217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).