1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid

C15H19NO3 — CID 60992597

IUPAC1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-10-12-5-3-9-19-12)8-7-11-4-1-2-6-13(11)15/h1-2,4,6,12,16H,3,5,7-10H2,(H,17,18)
InChIKeyVLZRYBKCSMBMHC-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.68
Rot. Bonds4

About 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid

1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid (PubChem CID 60992597) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
PubChem CID60992597
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(NCC2CCCO2)CCc2ccccc21
InChIInChI=1S/C15H19NO3/c17-14(18)15(16-10-12-5-3-9-19-12)8-7-11-4-1-2-6-13(11)15/h1-2,4,6,12,16H,3,5,7-10H2,(H,17,18)
InChIKeyVLZRYBKCSMBMHC-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(oxolan-2-ylmethylamino)-1,3-dihydroisochromene-4-carboxamide
CID 107149776
4-fluoro-1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxamide
CID 83066162
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
N-[(1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl)methyl]-3-(oxolan-2-yl)propanamide
CID 111110506
2-[3-(oxolan-2-yl)propyl]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 65407586
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 92509614
5-(thiophen-2-ylmethylamino)-6,7,8,9-tetrahydrobenzo[7]annulene-5-carboxylic acid
CID 61001699
1-[2-(diethylamino)ethylamino]-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 60993938
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
1-(oxolan-2-ylmethyl)-3-(1-phenylcyclopentyl)urea
CID 110676481
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
N-(oxolan-2-ylmethyl)-N'-phenyloxamide
CID 3114289

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid (CID 60992597) is 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(NCC2CCCO2)CCc2ccccc21.
What is the InChIKey of 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is VLZRYBKCSMBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(16-10-12-5-3-9-19-12)8-7-11-4-1-2-6-13(11)15/h1-2,4,6,12,16H,3,5,7-10H2,(H,17,18).
What are the key properties of 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid?
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 60992597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).