(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

C8H17N3O4S — CID 67154518

IUPAC(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H17N3O4S/c9-7(8(12)13)3-4-10-16(14,15)11-5-1-2-6-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1
InChIKeySWXZWPPFVIWVBI-ZETCQYMHSA-N
MW251.31 g/mol
LogP-1.28
Rot. Bonds6

About (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 67154518) has the molecular formula C8H17N3O4S and a molecular weight of 251.31 g/mol. Its IUPAC name is (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID67154518
Molecular FormulaC8H17N3O4S
Molecular Weight251.31 g/mol
Exact Mass251.09
IUPAC Name(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H17N3O4S/c9-7(8(12)13)3-4-10-16(14,15)11-5-1-2-6-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1
InChIKeySWXZWPPFVIWVBI-ZETCQYMHSA-N
XLogP-1.28
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-pyrrolidin-1-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 176179345
2-Amino-4-(pyrrolidin-1-YL)butanoic acid
CID 57459750
2-Amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154519
(2S)-2-amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945525
2-Amino-4-[(2,2-dimethylpyrrolidin-1-yl)sulfonylamino]butanoic acid
CID 70945526
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]butanoic acid
CID 70945563
(2S)-2-amino-4-[[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]amino]butanoic acid
CID 70945565
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
CID 70945955
2-Amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
CID 70945958
(2S)-2-amino-4-[2-aminoethyl(sulfamoyl)amino]butanoic acid
CID 87289538

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 67154518) is (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is SWXZWPPFVIWVBI-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O4S/c9-7(8(12)13)3-4-10-16(14,15)11-5-1-2-6-11/h7,10H,1-6,9H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 251.31 g/mol, XLogP of -1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 67154518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).