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

C10H22N4O4S — CID 70945955

IUPAC(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
SMILESN[C@@H](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)/t9-/m0/s1
InChIKeyGYTWYVCTIANAPW-VIFPVBQESA-N
MW294.38 g/mol
LogP-1.69
Rot. Bonds9

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

(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid (PubChem CID 70945955) has the molecular formula C10H22N4O4S and a molecular weight of 294.38 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
PubChem CID70945955
Molecular FormulaC10H22N4O4S
Molecular Weight294.38 g/mol
Exact Mass294.14
IUPAC Name(2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid
SMILESN[C@@H](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)/t9-/m0/s1
InChIKeyGYTWYVCTIANAPW-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid (CID 70945955) is (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)NCCN1CCCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
The InChIKey is GYTWYVCTIANAPW-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid?
(2S)-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 (2S)-2-amino-4-(2-pyrrolidin-1-ylethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).