2-(ethylamino)-3-sulfanylpropanoic acid

C5H11NO2S — CID 11062543

IUPAC2-(ethylamino)-3-sulfanylpropanoic acid
SMILESCCNC(CS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-2-6-4(3-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8)
InChIKeySMLNREUXXJESLR-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.02
Rot. Bonds4

About 2-(ethylamino)-3-sulfanylpropanoic acid

2-(ethylamino)-3-sulfanylpropanoic acid (PubChem CID 11062543) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2-(ethylamino)-3-sulfanylpropanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-3-sulfanylpropanoic acid
PubChem CID11062543
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2-(ethylamino)-3-sulfanylpropanoic acid
SMILESCCNC(CS)C(=O)O
InChIInChI=1S/C5H11NO2S/c1-2-6-4(3-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8)
InChIKeySMLNREUXXJESLR-UHFFFAOYSA-N
XLogP-0.02
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-sulfanylpropanoic acid?
The IUPAC name of 2-(ethylamino)-3-sulfanylpropanoic acid (CID 11062543) is 2-(ethylamino)-3-sulfanylpropanoic acid.
What is the SMILES notation for 2-(ethylamino)-3-sulfanylpropanoic acid?
The canonical SMILES for 2-(ethylamino)-3-sulfanylpropanoic acid is CCNC(CS)C(=O)O.
What is the InChIKey of 2-(ethylamino)-3-sulfanylpropanoic acid?
The InChIKey is SMLNREUXXJESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-2-6-4(3-9)5(7)8/h4,6,9H,2-3H2,1H3,(H,7,8).
What are the key properties of 2-(ethylamino)-3-sulfanylpropanoic acid?
2-(ethylamino)-3-sulfanylpropanoic acid has a molecular weight of 149.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3-sulfanylpropanoic acid is sourced from PubChem (CID 11062543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).