3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

C18H25NO3 — CID 66799117

IUPAC3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)C(C)CC(=O)N(C)C1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H25NO3/c1-11(2)12(3)9-17(20)19(4)16-8-7-13-5-6-14(18(21)22)10-15(13)16/h5-6,10-12,16H,7-9H2,1-4H3,(H,21,22)
InChIKeyODPXZUIHQZXPHN-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.51
Rot. Bonds5

About 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid

3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 66799117) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID66799117
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)C(C)CC(=O)N(C)C1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C18H25NO3/c1-11(2)12(3)9-17(20)19(4)16-8-7-13-5-6-14(18(21)22)10-15(13)16/h5-6,10-12,16H,7-9H2,1-4H3,(H,21,22)
InChIKeyODPXZUIHQZXPHN-UHFFFAOYSA-N
XLogP3.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505204
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
2,3-dihydro-1H-indene-1,6-dicarboxylic acid;N,N-dimethylmethanamine
CID 174646210
methyl (3R)-3-[(2-cyclopentylacetyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate
CID 66805472
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505245
3-[(2-methylbenzoyl)-propan-2-ylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798463
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
methyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 59505713
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
1-(3-propan-2-yl-2,3-dihydro-1H-inden-5-yl)ethanone
CID 72607705

Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 66799117) is 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is CC(C)C(C)CC(=O)N(C)C1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ODPXZUIHQZXPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-11(2)12(3)9-17(20)19(4)16-8-7-13-5-6-14(18(21)22)10-15(13)16/h5-6,10-12,16H,7-9H2,1-4H3,(H,21,22).
What are the key properties of 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid?
3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethylpentanoyl(methyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 66799117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).