2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid

C10H22N4O4S — CID 70945958

IUPAC2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-4-12-19(17,18)13-5-8-14-6-1-2-7-14/h9,12-13H,1-8,11H2,(H,15,16)
InChIKeyGYTWYVCTIANAPW-UHFFFAOYSA-N
MW294.38 g/mol
LogP-1.69
Rot. Bonds9

About 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid

2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid (PubChem CID 70945958) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
PubChem CID70945958
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
SMILESNC(CCNS(=O)(=O)NCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H22N4O4S/c11-9(10(15)16)3-4-12-19(17,18)13-5-8-14-6-1-2-7-14/h9,12-13H,1-8,11H2,(H,15,16)
InChIKeyGYTWYVCTIANAPW-UHFFFAOYSA-N
XLogP-1.69
TPSA124.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 12182633
2-Amino-4-(pyrrolidin-1-YL)butanoic acid
CID 57459750
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154518
2-Amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154519
(2S)-2-amino-3-(2-pyrrolidin-1-ylethylsulfamoylamino)propanoic acid
CID 67154844
(2S)-2-amino-4-[(4-methyl-1,4-diazepan-1-yl)sulfonylamino]butanoic acid
CID 67154946
(2S)-2-amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944788
2-Amino-4-(piperazin-1-ylsulfonylamino)butanoic acid
CID 70944789
(2S)-2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945315
2-Amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
2-Amino-3-(2-pyrrolidin-1-ylethylsulfamoylamino)propanoic acid
CID 70945318
(2S)-2-amino-4-[methyl-[2-(1-methylpyrrolidin-2-yl)ethylsulfamoyl]amino]butanoic acid
CID 70945563

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The IUPAC name of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid (CID 70945958) is 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The canonical SMILES for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid is NC(CCNS(=O)(=O)NCCN1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The InChIKey is GYTWYVCTIANAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O4S/c11-9(10(15)16)3-4-12-19(17,18)13-5-8-14-6-1-2-7-14/h9,12-13H,1-8,11H2,(H,15,16).
What are the key properties of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid has a molecular weight of 294.38 g/mol, XLogP of -1.69, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).