2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid

C8H11N3O2S — CID 65443798

IUPAC2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
SMILESNc1cnccc1SCC(N)C(=O)O
InChIInChI=1S/C8H11N3O2S/c9-5-3-11-2-1-7(5)14-4-6(10)8(12)13/h1-3,6H,4,9-10H2,(H,12,13)
InChIKeyZLMBJJSTUSXVOG-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.17
Rot. Bonds4

About 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid

2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid (PubChem CID 65443798) has the molecular formula C8H11N3O2S and a molecular weight of 213.26 g/mol. Its IUPAC name is 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
PubChem CID65443798
Molecular FormulaC8H11N3O2S
Molecular Weight213.26 g/mol
Exact Mass213.06
IUPAC Name2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid
SMILESNc1cnccc1SCC(N)C(=O)O
InChIInChI=1S/C8H11N3O2S/c9-5-3-11-2-1-7(5)14-4-6(10)8(12)13/h1-3,6H,4,9-10H2,(H,12,13)
InChIKeyZLMBJJSTUSXVOG-UHFFFAOYSA-N
XLogP0.17
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 66103074
4-[(3-amino-4-pyridinyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 61319868
2-amino-3-(3-amino-2-methylphenyl)sulfanylpropanoic acid
CID 79143906
2-amino-2-(3-amino-4-pyridinyl)acetic acid
CID 55292640
4-(2-chloroprop-2-enylsulfanyl)pyridin-3-amine
CID 43300179
2-[(3-amino-4-pyridinyl)sulfanyl]-1-(azocan-1-yl)ethanone
CID 43299913
4-[2-[(3-amino-4-pyridinyl)sulfanyl]ethoxy]benzoic acid
CID 61319257
2-[(3-amino-4-pyridinyl)sulfanyl]-N-propylacetamide
CID 43300145
4-(2-methylsulfonylethylsulfanyl)pyridin-3-amine
CID 60917186
2-amino-3-[(2-sulfo-3-pyridinyl)sulfanyl]propanoic acid
CID 175225846
4-(3-methylbutylsulfanyl)pyridin-3-amine
CID 43300026
4-(2-pyridin-4-ylethylsulfanyl)pyridin-3-amine
CID 60893029

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid?
The IUPAC name of 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid (CID 65443798) is 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid?
The canonical SMILES for 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid is Nc1cnccc1SCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid?
The InChIKey is ZLMBJJSTUSXVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2S/c9-5-3-11-2-1-7(5)14-4-6(10)8(12)13/h1-3,6H,4,9-10H2,(H,12,13).
What are the key properties of 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid?
2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid has a molecular weight of 213.26 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-amino-4-pyridinyl)sulfanyl]propanoic acid is sourced from PubChem (CID 65443798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).