(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid

C10H11NO2 — CID 125041401

IUPAC(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESC[C@H]1CNc2c(C(=O)O)cccc21
InChIInChI=1S/C10H11NO2/c1-6-5-11-9-7(6)3-2-4-8(9)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyNBAPWWFPSAIMRX-LURJTMIESA-N
MW177.20 g/mol
LogP1.91
Rot. Bonds1

About (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid

(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid (PubChem CID 125041401) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
PubChem CID125041401
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESC[C@H]1CNc2c(C(=O)O)cccc21
InChIInChI=1S/C10H11NO2/c1-6-5-11-9-7(6)3-2-4-8(9)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyNBAPWWFPSAIMRX-LURJTMIESA-N
XLogP1.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
4-methyl-1,2,3,4-tetrahydroquinoline-8-carboxylic acid
CID 56766062
3-methyl-2,3-dihydro-1H-indole-7-carbaldehyde
CID 117204054
7-(methoxymethyl)-3-methyl-2,3-dihydro-1H-indole
CID 118511571
(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551926
2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
CID 176550245
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole-4-carboxylic acid
CID 84694597
2-methyl-3,4-dihydro-2H-1,4-benzothiazine-8-carboxylic acid
CID 115096444
3-cyclopropyl-2-methoxybenzoic acid
CID 69106312
4-oxo-3-propan-2-yl-1,2,3,5-tetrahydro-1,5-benzodiazepine-6-carboxylic acid
CID 113332352

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid?
The IUPAC name of (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid (CID 125041401) is (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid.
What is the SMILES notation for (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid?
The canonical SMILES for (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid is C[C@H]1CNc2c(C(=O)O)cccc21.
What is the InChIKey of (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid?
The InChIKey is NBAPWWFPSAIMRX-LURJTMIESA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-5-11-9-7(6)3-2-4-8(9)10(12)13/h2-4,6,11H,5H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid?
(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid is sourced from PubChem (CID 125041401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).