3-amino-2-(butylsulfamoylamino)propanoic acid

C7H17N3O4S — CID 57183749

IUPAC3-amino-2-(butylsulfamoylamino)propanoic acid
SMILESCCCCNS(=O)(=O)NC(CN)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-2-3-4-9-15(13,14)10-6(5-8)7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12)
InChIKeyRXWYFLUMHQCPIN-UHFFFAOYSA-N
MW239.30 g/mol
LogP-1.38
Rot. Bonds8

About 3-amino-2-(butylsulfamoylamino)propanoic acid

3-amino-2-(butylsulfamoylamino)propanoic acid (PubChem CID 57183749) has the molecular formula C7H17N3O4S and a molecular weight of 239.30 g/mol. Its IUPAC name is 3-amino-2-(butylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-amino-2-(butylsulfamoylamino)propanoic acid
PubChem CID57183749
Molecular FormulaC7H17N3O4S
Molecular Weight239.30 g/mol
Exact Mass239.09
IUPAC Name3-amino-2-(butylsulfamoylamino)propanoic acid
SMILESCCCCNS(=O)(=O)NC(CN)C(=O)O
InChIInChI=1S/C7H17N3O4S/c1-2-3-4-9-15(13,14)10-6(5-8)7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12)
InChIKeyRXWYFLUMHQCPIN-UHFFFAOYSA-N
XLogP-1.38
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
(2S)-4,6-diamino-2-(butylamino)hexanoic acid
CID 87377046
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
5-(ethylsulfamoylamino)-2-methylpentanoic acid
CID 114807097
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 114805476
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(butylsulfamoylamino)propanoic acid?
The IUPAC name of 3-amino-2-(butylsulfamoylamino)propanoic acid (CID 57183749) is 3-amino-2-(butylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-amino-2-(butylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-amino-2-(butylsulfamoylamino)propanoic acid is CCCCNS(=O)(=O)NC(CN)C(=O)O.
What is the InChIKey of 3-amino-2-(butylsulfamoylamino)propanoic acid?
The InChIKey is RXWYFLUMHQCPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O4S/c1-2-3-4-9-15(13,14)10-6(5-8)7(11)12/h6,9-10H,2-5,8H2,1H3,(H,11,12).
What are the key properties of 3-amino-2-(butylsulfamoylamino)propanoic acid?
3-amino-2-(butylsulfamoylamino)propanoic acid has a molecular weight of 239.30 g/mol, XLogP of -1.38, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(butylsulfamoylamino)propanoic acid is sourced from PubChem (CID 57183749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).