2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid

C8H14N2O8S — CID 114462664

IUPAC2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14N2O8S/c1-5(2)18-8(15)9-19(16,17)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14)
InChIKeyIDXSXVZGJFVVKL-UHFFFAOYSA-N
MW298.27 g/mol
LogP-1.16
Rot. Bonds7

About 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid

2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid (PubChem CID 114462664) has the molecular formula C8H14N2O8S and a molecular weight of 298.27 g/mol. Its IUPAC name is 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
PubChem CID114462664
Molecular FormulaC8H14N2O8S
Molecular Weight298.27 g/mol
Exact Mass298.05
IUPAC Name2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H14N2O8S/c1-5(2)18-8(15)9-19(16,17)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14)
InChIKeyIDXSXVZGJFVVKL-UHFFFAOYSA-N
XLogP-1.16
TPSA150.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[propan-2-yl(propan-2-yloxycarbonylsulfamoyl)amino]propanoic acid
CID 114462208
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
propan-2-yl N-[(2-amino-2-iminoethyl)-propan-2-ylsulfamoyl]carbamate
CID 114467537
2-[carboxymethyl(propan-2-ylsulfamoyl)amino]acetic acid
CID 114806125
propan-2-yl N-[2-hydroxyethyl(methyl)sulfamoyl]carbamate
CID 114464122
propan-2-yl N-[2-chloroethyl(2,2,2-trifluoroethyl)sulfamoyl]carbamate
CID 107493090
propan-2-yl N-[2-bromoethyl(methyl)sulfamoyl]carbamate
CID 114466545
propan-2-yl N-[(3-amino-3-iminopropyl)-(2-methylpropyl)sulfamoyl]carbamate
CID 114467490
propan-2-yl N-[3-bromopropyl(propan-2-yl)sulfamoyl]carbamate
CID 114466588
propan-2-yl N-[(3-amino-2,2-dimethylpropyl)-propylsulfamoyl]carbamate
CID 114465106
propan-2-yl N-[1-cyanopropan-2-yl(methyl)sulfamoyl]carbamate
CID 114463424
methyl 3-[methyl(propan-2-yloxycarbonylsulfamoyl)amino]propanoate
CID 114465476

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid (CID 114462664) is 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid is CC(C)OC(=O)NS(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
The InChIKey is IDXSXVZGJFVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O8S/c1-5(2)18-8(15)9-19(16,17)10(3-6(11)12)4-7(13)14/h5H,3-4H2,1-2H3,(H,9,15)(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid?
2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid has a molecular weight of 298.27 g/mol, XLogP of -1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(propan-2-yloxycarbonylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 114462664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).