[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate

C19H19NO3 — CID 9010390

IUPAC[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(18(21)20-17-8-3-2-4-9-17)23-19(22)16-11-10-14-6-5-7-15(14)12-16/h2-4,8-13H,5-7H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIRGHWXOAOPGGTN-CYBMUJFWSA-N
MW309.37 g/mol
LogP3.36
Rot. Bonds4

About [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate

[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 9010390) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Name[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
PubChem CID9010390
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1
InChIInChI=1S/C19H19NO3/c1-13(18(21)20-17-8-3-2-4-9-17)23-19(22)16-11-10-14-6-5-7-15(14)12-16/h2-4,8-13H,5-7H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyIRGHWXOAOPGGTN-CYBMUJFWSA-N
XLogP3.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732506
[(2R)-1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732520
[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 8732563
[(2R)-1-anilino-1-oxopropan-2-yl] 3,5-diacetamidobenzoate
CID 26002721
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010397
4-O-[(2S)-1-anilino-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296552
[(2S)-1-anilino-1-oxopropan-2-yl] 4-methylbenzoate
CID 2506398
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981178
(1-anilino-1-oxopropan-2-yl) 3-hydroxybenzoate
CID 24687453
propan-2-yl 2,3-dihydro-1H-indene-5-carboxylate
CID 60704491
(1-anilino-1-oxopropan-2-yl) 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 16509431
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010358

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate (CID 9010390) is [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate is C[C@@H](OC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1.
What is the InChIKey of [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is IRGHWXOAOPGGTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(18(21)20-17-8-3-2-4-9-17)23-19(22)16-11-10-14-6-5-7-15(14)12-16/h2-4,8-13H,5-7H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate?
[(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-anilino-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 9010390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).