5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid

C15H19NO3 — CID 55155027

IUPAC5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(9-15(18)19)8-14(17)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWMHXREKKFGGQPZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds5

About 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid

5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 55155027) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
PubChem CID55155027
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H19NO3/c1-10(9-15(18)19)8-14(17)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyWMHXREKKFGGQPZ-UHFFFAOYSA-N
XLogP2.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
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N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
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N-[(1S)-2,3-dihydro-1H-inden-1-yl]dodecanamide
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CID 43652089
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid (CID 55155027) is 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NC1CCc2ccccc21.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is WMHXREKKFGGQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(9-15(18)19)8-14(17)16-13-7-6-11-4-2-3-5-12(11)13/h2-5,10,13H,6-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid?
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 55155027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).