(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid

C10H22N4O5S — CID 70945583

IUPAC(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H22N4O5S/c11-9(10(15)16)1-2-12-20(17,18)13-3-4-14-5-7-19-8-6-14/h9,12-13H,1-8,11H2,(H,15,16)/t9-/m0/s1
InChIKeyCYUGNPVMNZHVOW-VIFPVBQESA-N
MW310.38 g/mol
LogP-2.46
Rot. Bonds9

About (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid

(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid (PubChem CID 70945583) has the molecular formula C10H22N4O5S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid
PubChem CID70945583
Molecular FormulaC10H22N4O5S
Molecular Weight310.38 g/mol
Exact Mass310.13
IUPAC Name(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)NCCN1CCOCC1)C(=O)O
InChIInChI=1S/C10H22N4O5S/c11-9(10(15)16)1-2-12-20(17,18)13-3-4-14-5-7-19-8-6-14/h9,12-13H,1-8,11H2,(H,15,16)/t9-/m0/s1
InChIKeyCYUGNPVMNZHVOW-VIFPVBQESA-N
XLogP-2.46
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-2.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid (CID 70945583) is (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid is N[C@@H](CCNS(=O)(=O)NCCN1CCOCC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid?
The InChIKey is CYUGNPVMNZHVOW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H22N4O5S/c11-9(10(15)16)1-2-12-20(17,18)13-3-4-14-5-7-19-8-6-14/h9,12-13H,1-8,11H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid?
(2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid has a molecular weight of 310.38 g/mol, XLogP of -2.46, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(2-morpholin-4-ylethylsulfamoylamino)butanoic acid is sourced from PubChem (CID 70945583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).