2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid

C22H34N4O9S — CID 11038734

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C22H34N4O9S/c1-21(2,3)34-19(30)25(11-12-26(14-18(28)29)20(31)35-22(4,5)6)13-17(27)24-15-7-9-16(10-8-15)36(23,32)33/h7-10H,11-14H2,1-6H3,(H,24,27)(H,28,29)(H2,23,32,33)
InChIKeyYOFWCTSJRNEKSW-UHFFFAOYSA-N
MW530.60 g/mol
LogP1.83
Rot. Bonds9

About 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid (PubChem CID 11038734) has the molecular formula C22H34N4O9S and a molecular weight of 530.60 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid
PubChem CID11038734
Molecular FormulaC22H34N4O9S
Molecular Weight530.60 g/mol
Exact Mass530.20
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid
SMILESCC(C)(C)OC(=O)N(CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C)CC(=O)O
InChIInChI=1S/C22H34N4O9S/c1-21(2,3)34-19(30)25(11-12-26(14-18(28)29)20(31)35-22(4,5)6)13-17(27)24-15-7-9-16(10-8-15)36(23,32)33/h7-10H,11-14H2,1-6H3,(H,24,27)(H,28,29)(H2,23,32,33)
InChIKeyYOFWCTSJRNEKSW-UHFFFAOYSA-N
XLogP1.83
TPSA185.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic 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-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]amino]ethyl]amino]acetic acid
CID 10896875
2-[2-[carboxymethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]acetic acid;zinc
CID 56659116
2-[2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-(carboxymethyl)amino]acetic acid
CID 101102311
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
tert-butyl N-[4-oxo-4-(4-sulfamoylanilino)butyl]carbamate
CID 118707459
2-[2-[[2-(hexylamino)-2-oxoethyl]-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]acetic acid
CID 130449979
3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(4-sulfamoylphenyl)propanamide
CID 59408690
tert-butyl N-[2-(2-fluoro-4-sulfamoylanilino)-2-oxoethyl]-N-methylcarbamate
CID 10808548
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-methyl-2-phenylpropanoate
CID 7984597
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid (CID 11038734) is 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid is CC(C)(C)OC(=O)N(CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C)CC(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid?
The InChIKey is YOFWCTSJRNEKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O9S/c1-21(2,3)34-19(30)25(11-12-26(14-18(28)29)20(31)35-22(4,5)6)13-17(27)24-15-7-9-16(10-8-15)36(23,32)33/h7-10H,11-14H2,1-6H3,(H,24,27)(H,28,29)(H2,23,32,33).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid has a molecular weight of 530.60 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-oxo-2-(4-sulfamoylanilino)ethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 11038734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).