6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid

C12H18N2O2 — CID 45121060

IUPAC6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESCC(C)c1[nH]c2c(c1C(=O)O)CCN(C)C2
InChIInChI=1S/C12H18N2O2/c1-7(2)11-10(12(15)16)8-4-5-14(3)6-9(8)13-11/h7,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyUAHQDYBEJUYEKW-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.82
Rot. Bonds2

About 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid

6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 45121060) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid
PubChem CID45121060
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid
SMILESCC(C)c1[nH]c2c(c1C(=O)O)CCN(C)C2
InChIInChI=1S/C12H18N2O2/c1-7(2)11-10(12(15)16)8-4-5-14(3)6-9(8)13-11/h7,13H,4-6H2,1-3H3,(H,15,16)
InChIKeyUAHQDYBEJUYEKW-UHFFFAOYSA-N
XLogP1.82
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
CID 82395619
2-propan-2-yl-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylic acid
CID 82392344
7-methyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
CID 58523931
2-(7-methyl-2-sulfanylidene-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)acetic acid
CID 83871520
6-ethyl-7-fluoro-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 144868061
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
3,6-dimethyl-2-[(1Z,3Z)-penta-1,3-dienyl]-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 142965606
2-(2,2-dimethylpropanoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860789
1-(5-methyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanone
CID 82410032
2-[(Z)-but-1-enyl]-3-ethyl-6-methyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 143591073
4,11-dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
CID 162388570
2-(2-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-3-yl)acetic acid
CID 83890058

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 45121060) is 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid is CC(C)c1[nH]c2c(c1C(=O)O)CCN(C)C2.
What is the InChIKey of 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
The InChIKey is UAHQDYBEJUYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-7(2)11-10(12(15)16)8-4-5-14(3)6-9(8)13-11/h7,13H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid?
6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 222.29 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propan-2-yl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 45121060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).