(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid

C9H21N3O4S — CID 89124131

IUPAC(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H21N3O4S/c1-11(2)5-4-6-12(3)17(15,16)7-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPROUGRUPUBXUKC-QMMMGPOBSA-N
MW267.35 g/mol
LogP-1.39
Rot. Bonds8

About (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid

(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid (PubChem CID 89124131) has the molecular formula C9H21N3O4S and a molecular weight of 267.35 g/mol. Its IUPAC name is (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid
PubChem CID89124131
Molecular FormulaC9H21N3O4S
Molecular Weight267.35 g/mol
Exact Mass267.13
IUPAC Name(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid
SMILESCN(C)CCCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C9H21N3O4S/c1-11(2)5-4-6-12(3)17(15,16)7-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyPROUGRUPUBXUKC-QMMMGPOBSA-N
XLogP-1.39
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethanesulfonamidopropanoic acid
CID 16228507
1-aminoethyl-N-1-carboxyethyl sulfonamidate
CID 44405137
(2S)-2-[2-(ethylsulfonylamino)ethylsulfonylamino]propanoic acid
CID 120086458
2-(Butane-1-sulfonamido)propanoic acid
CID 4961700
2-(Propane-1-sulfonamido)propanoic acid
CID 16226752
(2s)-2-(Butane-1-sulfonamido)propanoic acid
CID 2447740
(2R)-2-(butylsulfonylamino)propanoic acid
CID 2447742
2-Aminoacetic acid;2-aminoethanesulfonic acid;2-aminopropanoic acid
CID 18183618
4-Amino-2-(butylsulfonylamino)butanoic acid
CID 18322901
2-(Pentylsulfonylamino)propanoic acid
CID 20223471
2-(Butylsulfonylamino)butanoic acid
CID 24262892
3-[3-(Dimethylamino)propylsulfamoyl]propanoic acid
CID 28773782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid (CID 89124131) is (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid is CN(C)CCCN(C)S(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid?
The InChIKey is PROUGRUPUBXUKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H21N3O4S/c1-11(2)5-4-6-12(3)17(15,16)7-8(10)9(13)14/h8H,4-7,10H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid?
(2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid has a molecular weight of 267.35 g/mol, XLogP of -1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[3-(dimethylamino)propyl-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 89124131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).