2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid

C8H15N3O7S — CID 114462094

IUPAC2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O7S/c1-5(2)18-8(15)11-19(16,17)10-3-6(12)9-4-7(13)14/h5,10H,3-4H2,1-2H3,(H,9,12)(H,11,15)(H,13,14)
InChIKeyDMXZSBROAGXFBQ-UHFFFAOYSA-N
MW297.29 g/mol
LogP-1.84
Rot. Bonds7

About 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid

2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid (PubChem CID 114462094) has the molecular formula C8H15N3O7S and a molecular weight of 297.29 g/mol. Its IUPAC name is 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
PubChem CID114462094
Molecular FormulaC8H15N3O7S
Molecular Weight297.29 g/mol
Exact Mass297.06
IUPAC Name2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C8H15N3O7S/c1-5(2)18-8(15)11-19(16,17)10-3-6(12)9-4-7(13)14/h5,10H,3-4H2,1-2H3,(H,9,12)(H,11,15)(H,13,14)
InChIKeyDMXZSBROAGXFBQ-UHFFFAOYSA-N
XLogP-1.84
TPSA150.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-1.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771
propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[(2-chloro-3-methylbutyl)sulfamoyl]carbamate
CID 114466894
propan-2-yl N-[(3-amino-2-methylpropyl)sulfamoyl]carbamate
CID 114461386
propan-2-yl N-(benzylsulfamoyl)carbamate
CID 117060358
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
propan-2-yl N-[(3-ethyl-2-hydroxypentyl)sulfamoyl]carbamate
CID 106288291
propan-2-yl N-(ethoxysulfamoyl)carbamate
CID 114463121
propan-2-yl N-[(1-hydroxycyclopentyl)methylsulfamoyl]carbamate
CID 114464241

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid (CID 114462094) is 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid is CC(C)OC(=O)NS(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid?
The InChIKey is DMXZSBROAGXFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O7S/c1-5(2)18-8(15)11-19(16,17)10-3-6(12)9-4-7(13)14/h5,10H,3-4H2,1-2H3,(H,9,12)(H,11,15)(H,13,14).
What are the key properties of 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid?
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid has a molecular weight of 297.29 g/mol, XLogP of -1.84, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid is sourced from PubChem (CID 114462094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).