(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid

C6H15N3O4S — CID 174670415

IUPAC(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid
SMILESCC(C)N(C[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H15N3O4S/c1-4(2)9(14(8,12)13)3-5(7)6(10)11/h4-5H,3,7H2,1-2H3,(H,10,11)(H2,8,12,13)/t5-/m0/s1
InChIKeyFXACWWRVZNKDAK-YFKPBYRVSA-N
MW225.27 g/mol
LogP-1.69
Rot. Bonds5

About (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid

(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid (PubChem CID 174670415) has the molecular formula C6H15N3O4S and a molecular weight of 225.27 g/mol. Its IUPAC name is (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid
PubChem CID174670415
Molecular FormulaC6H15N3O4S
Molecular Weight225.27 g/mol
Exact Mass225.08
IUPAC Name(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid
SMILESCC(C)N(C[C@H](N)C(=O)O)S(N)(=O)=O
InChIInChI=1S/C6H15N3O4S/c1-4(2)9(14(8,12)13)3-5(7)6(10)11/h4-5H,3,7H2,1-2H3,(H,10,11)(H2,8,12,13)/t5-/m0/s1
InChIKeyFXACWWRVZNKDAK-YFKPBYRVSA-N
XLogP-1.69
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(dimethylamino)ethyl-sulfamoylamino]propanoic acid
CID 87289653
2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098
(2S)-2-amino-3-(dimethylamino)propanoic acid;hydrate;dihydrochloride
CID 90471472
(2R)-2-amino-3-(diethylamino)propanoic acid
CID 45082341
(2S)-2-amino-3-[bis(sulfanyl)amino]propanoic acid
CID 146014553
(2R)-2-amino-5-methylhexanoic acid
CID 40537121
methyl 2-[propan-2-yl(sulfamoyl)amino]acetate
CID 61074091
(2S)-2-amino-3-[carbamoyl(hydroxy)amino]propanoic acid
CID 45122458
(2R,4R)-2-amino-4-fluoropentanoic acid
CID 55283897
(2S)-2-amino-5-methylhexanoic acid;hydrate
CID 141394996
(2S)-3-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(sulfamoyl)amino]-2-aminopropanoic acid
CID 174658799
(2S)-2-amino-3-[piperidin-4-ylmethyl(sulfamoyl)amino]propanoic acid
CID 67154842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid (CID 174670415) is (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid is CC(C)N(C[C@H](N)C(=O)O)S(N)(=O)=O.
What is the InChIKey of (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid?
The InChIKey is FXACWWRVZNKDAK-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N3O4S/c1-4(2)9(14(8,12)13)3-5(7)6(10)11/h4-5H,3,7H2,1-2H3,(H,10,11)(H2,8,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid?
(2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid has a molecular weight of 225.27 g/mol, XLogP of -1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[propan-2-yl(sulfamoyl)amino]propanoic acid is sourced from PubChem (CID 174670415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).