4-[ethyl(sulfanyl)amino]butanoic acid

C6H13NO2S — CID 175718837

IUPAC4-[ethyl(sulfanyl)amino]butanoic acid
SMILESCCN(S)CCCC(=O)O
InChIInChI=1S/C6H13NO2S/c1-2-7(10)5-3-4-6(8)9/h10H,2-5H2,1H3,(H,8,9)
InChIKeyHKZSPPJDBWXDHF-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.02
Rot. Bonds5

About 4-[ethyl(sulfanyl)amino]butanoic acid

4-[ethyl(sulfanyl)amino]butanoic acid (PubChem CID 175718837) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is 4-[ethyl(sulfanyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethyl(sulfanyl)amino]butanoic acid
PubChem CID175718837
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC Name4-[ethyl(sulfanyl)amino]butanoic acid
SMILESCCN(S)CCCC(=O)O
InChIInChI=1S/C6H13NO2S/c1-2-7(10)5-3-4-6(8)9/h10H,2-5H2,1H3,(H,8,9)
InChIKeyHKZSPPJDBWXDHF-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-Carboxypropyl)trimethylammonium chloride
CID 22620
4-Trimethylammoniobutanoate
CID 134
4-(Dimethylamino)butyric acid hydrochloride
CID 12691640
Butyric acid, 4-(diethylamino)-
CID 44844
4-(Dimethylamino)butyric acid
CID 239820
4-(Dipropylamino)butanoic acid hydrochloride
CID 49860448
4-(Diethylamino)butanoic acid hydrochloride
CID 13795539
Ethyl-Dimethyl-(4-Oxidanyl-4-Oxidanylidene-Butyl)azanium
CID 51347809
4-(Dipropylamino)butanoic acid
CID 13735415
3-Carboxypropyl(triethyl)azanium
CID 15278121
4-[3-Carboxypropyl(methyl)amino]butanoic acid
CID 20818054
4-(Dimethylamino)-2-fluorobutanoic acid
CID 84020804

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(sulfanyl)amino]butanoic acid?
The IUPAC name of 4-[ethyl(sulfanyl)amino]butanoic acid (CID 175718837) is 4-[ethyl(sulfanyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethyl(sulfanyl)amino]butanoic acid?
The canonical SMILES for 4-[ethyl(sulfanyl)amino]butanoic acid is CCN(S)CCCC(=O)O.
What is the InChIKey of 4-[ethyl(sulfanyl)amino]butanoic acid?
The InChIKey is HKZSPPJDBWXDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7(10)5-3-4-6(8)9/h10H,2-5H2,1H3,(H,8,9).
What are the key properties of 4-[ethyl(sulfanyl)amino]butanoic acid?
4-[ethyl(sulfanyl)amino]butanoic acid has a molecular weight of 163.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(sulfanyl)amino]butanoic acid is sourced from PubChem (CID 175718837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).