(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid

C15H19NO4 — CID 125041541

IUPAC(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-11-8-7-9-5-4-6-10(12(9)11)13(17)18/h4-6,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyNHKPPXDKSBHWJD-LLVKDONJSA-N
MW277.32 g/mol
LogP2.90
Rot. Bonds2

About (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid

(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 125041541) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID125041541
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N[C@@H]1CCc2cccc(C(=O)O)c21
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-11-8-7-9-5-4-6-10(12(9)11)13(17)18/h4-6,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
InChIKeyNHKPPXDKSBHWJD-LLVKDONJSA-N
XLogP2.90
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-7-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 125470418
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 19433660
tert-butyl N-[(11S)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-11-yl]carbamate
CID 155189855
(3R)-3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-4-carboxylic acid
CID 59505213
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-(5-benzyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132740
tert-butyl N-(1-bromo-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132756
tert-butyl N-(5-benzylsulfanyl-6-oxo-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl)carbamate
CID 67132723
tert-butyl N-[(1R)-6-bromo-2,3-dihydro-1H-inden-1-yl]carbamate
CID 59505686
8-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-carboxylic acid
CID 22337436

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid (CID 125041541) is (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid is CC(C)(C)OC(=O)N[C@@H]1CCc2cccc(C(=O)O)c21.
What is the InChIKey of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is NHKPPXDKSBHWJD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-11-8-7-9-5-4-6-10(12(9)11)13(17)18/h4-6,11H,7-8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1.
What are the key properties of (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid?
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 125041541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).