(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

C15H19NO3 — CID 59505245

IUPAC(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)CC(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO3/c1-9(2)7-14(17)16-13-6-5-10-3-4-11(15(18)19)8-12(10)13/h3-4,8-9,13H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyYYBAERLEZZUJNL-CYBMUJFWSA-N
MW261.32 g/mol
LogP2.53
Rot. Bonds4

About (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid

(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 59505245) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID59505245
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCC(C)CC(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C15H19NO3/c1-9(2)7-14(17)16-13-6-5-10-3-4-11(15(18)19)8-12(10)13/h3-4,8-9,13H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1
InChIKeyYYBAERLEZZUJNL-CYBMUJFWSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798621
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 129379453
(3R)-3-[(2,6-dimethylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505364
3-[(2-fluoro-2-methylpropyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66827063
5-(2,3-dihydro-1H-inden-1-ylamino)-3-methyl-5-oxopentanoic acid
CID 55155027
(3R)-3-(naphthalene-1-carbonylamino)-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66799120
3-[(2-chloro-6-methylbenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505698
(3R)-3-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 66798644
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
(3R)-3-[(2-chloro-4-methoxybenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 59505366
methyl 3-[[2-(2-methylphenyl)acetyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 67547074

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 59505245) is (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is CC(C)CC(=O)N[C@@H]1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is YYBAERLEZZUJNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9(2)7-14(17)16-13-6-5-10-3-4-11(15(18)19)8-12(10)13/h3-4,8-9,13H,5-7H2,1-2H3,(H,16,17)(H,18,19)/t13-/m1/s1.
What are the key properties of (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid?
(3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylbutanoylamino)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 59505245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).