(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid

C15H18BrNO4 — CID 138109460

IUPAC(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cc(Br)ccc21
InChIInChI=1S/C15H18BrNO4/c1-14(2,3)21-13(20)17-15(12(18)19)7-6-9-8-10(16)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeyGDUDMLZUNWWKNZ-OAHLLOKOSA-N
MW356.22 g/mol
LogP3.20
Rot. Bonds2

About (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid

(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid (PubChem CID 138109460) has the molecular formula C15H18BrNO4 and a molecular weight of 356.22 g/mol. Its IUPAC name is (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
PubChem CID138109460
Molecular FormulaC15H18BrNO4
Molecular Weight356.22 g/mol
Exact Mass355.04
IUPAC Name(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cc(Br)ccc21
InChIInChI=1S/C15H18BrNO4/c1-14(2,3)21-13(20)17-15(12(18)19)7-6-9-8-10(16)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)/t15-/m1/s1
InChIKeyGDUDMLZUNWWKNZ-OAHLLOKOSA-N
XLogP3.20
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic 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

1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
6-fluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 138110145
6-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 103718921
tert-butyl N-(6-bromospiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl)carbamate
CID 122463460
2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydrocyclopenta[b]pyridine-7-carboxylic acid
CID 118482775
tert-butyl N-(1-carbamoyl-2,3-dihydroinden-1-yl)carbamate
CID 91387270
5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,7-dihydrocyclopenta[b]pyridine-5-carboxylic acid
CID 138110706
tert-butyl N-[5-amino-1-(2,2,2-trifluoroethylcarbamoyl)-2,3-dihydroinden-1-yl]carbamate
CID 177368559
ethyl 5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-dihydroindene-2-carboxylate
CID 68667339
tert-butyl N-[1-(4-bromophenyl)cyclopropyl]carbamate
CID 53216208
tert-butyl N-(5-amino-1-methyl-2,3-dihydroinden-1-yl)carbamate
CID 177368501
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686

Frequently Asked Questions

What is the IUPAC name of (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid (CID 138109460) is (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid is CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCc2cc(Br)ccc21.
What is the InChIKey of (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is GDUDMLZUNWWKNZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18BrNO4/c1-14(2,3)21-13(20)17-15(12(18)19)7-6-9-8-10(16)4-5-11(9)15/h4-5,8H,6-7H2,1-3H3,(H,17,20)(H,18,19)/t15-/m1/s1.
What are the key properties of (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid?
(1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 356.22 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-bromo-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 138109460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).