methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate

C19H25NO3 — CID 66805472

IUPACmethyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CC1CCCC1)CC2
InChIInChI=1S/C19H25NO3/c1-20(18(21)11-13-5-3-4-6-13)17-10-9-14-7-8-15(12-16(14)17)19(22)23-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t17-/m1/s1
InChIKeyLHWIGLMZXDGRRX-QGZVFWFLSA-N
MW315.41 g/mol
LogP3.50
Rot. Bonds4

About methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate

methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate (PubChem CID 66805472) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate
PubChem CID66805472
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Namemethyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CC1CCCC1)CC2
InChIInChI=1S/C19H25NO3/c1-20(18(21)11-13-5-3-4-6-13)17-10-9-14-7-8-15(12-16(14)17)19(22)23-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t17-/m1/s1
InChIKeyLHWIGLMZXDGRRX-QGZVFWFLSA-N
XLogP3.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505713
methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799117
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl (3R)-3-(cyclopentanecarbonylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805415
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,3-dihydro-1H-inden-1-yl)-N-methylacetamide;hydrochloride
CID 119702279
methyl 3-bromo-4-[[cyclohexylmethyl(methyl)amino]methyl]benzoate
CID 102767216
methyl 3-amino-4-[cyclopentylmethyl(methyl)amino]benzoate
CID 55250036
(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-1-yl)azanium
CID 163859823
ethyl 3-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 66825919

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The IUPAC name of methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate (CID 66805472) is methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate.
What is the SMILES notation for methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The canonical SMILES for methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate is COC(=O)c1ccc2c(c1)[C@H](N(C)C(=O)CC1CCCC1)CC2.
What is the InChIKey of methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate?
The InChIKey is LHWIGLMZXDGRRX-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H25NO3/c1-20(18(21)11-13-5-3-4-6-13)17-10-9-14-7-8-15(12-16(14)17)19(22)23-2/h7-8,12-13,17H,3-6,9-11H2,1-2H3/t17-/m1/s1.
What are the key properties of methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate?
methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate is sourced from PubChem (CID 66805472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).