(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid

C8H17NO2S — CID 104863677

IUPAC(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid
SMILESCCSCCCN[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-3-12-6-4-5-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyZNHVKKFGMIKVSI-SSDOTTSWSA-N
MW191.30 g/mol
LogP1.19
Rot. Bonds7

About (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid

(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid (PubChem CID 104863677) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid
PubChem CID104863677
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid
SMILESCCSCCCN[C@H](C)C(=O)O
InChIInChI=1S/C8H17NO2S/c1-3-12-6-4-5-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKeyZNHVKKFGMIKVSI-SSDOTTSWSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(pentylamino)propanoic acid
CID 43467235
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
CID 162321120
CID 162321120
(2S)-2-(pent-4-enylamino)propanoic acid
CID 83194010
sodium;hydride;methane;2-(pentylamino)propanoic acid
CID 174916781
2-(dodecylamino)propanoic acid;hydrazine
CID 174949579
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-(3-ethylsulfanylpropanoylamino)propanoic acid
CID 115731119
2-(4-aminopentylamino)propanoic acid
CID 142180855
N-(3-ethylsulfanylpropyl)-3,3-dimethylbutan-2-amine
CID 115666824
tris(2-aminoethanol);2-(dodecylamino)propanoic acid
CID 173055102

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid?
The IUPAC name of (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid (CID 104863677) is (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid.
What is the SMILES notation for (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid?
The canonical SMILES for (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid is CCSCCCN[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid?
The InChIKey is ZNHVKKFGMIKVSI-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-12-6-4-5-9-7(2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid?
(2R)-2-(3-ethylsulfanylpropylamino)propanoic acid has a molecular weight of 191.30 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-ethylsulfanylpropylamino)propanoic acid is sourced from PubChem (CID 104863677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).