1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid

C12H14N2O2 — CID 142580385

IUPAC1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(n2)CCN3)CCC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(5-1-6-12)10-3-2-8-9(14-10)4-7-13-8/h2-3,13H,1,4-7H2,(H,15,16)
InChIKeyOPKYXDNPNSJETR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.56
Rot. Bonds2

About 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid

1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid (PubChem CID 142580385) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid
PubChem CID142580385
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc3c(n2)CCN3)CCC1
InChIInChI=1S/C12H14N2O2/c15-11(16)12(5-1-6-12)10-3-2-8-9(14-10)4-7-13-8/h2-3,13H,1,4-7H2,(H,15,16)
InChIKeyOPKYXDNPNSJETR-UHFFFAOYSA-N
XLogP1.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83847292
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CID 155093194
1-pyridin-4-ylcyclobutane-1-carboxylic acid
CID 55265399
1-(6-methyl-2-pyridinyl)cyclopentane-1-carboxylic acid
CID 96617960
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1-[6-ethyl-5-(methylamino)-2-pyridinyl]cyclobutane-1-carboxylic acid
CID 155738957
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1-(2-pyridin-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891028
1-[4-(2,3-dihydro-1H-indol-5-yl)phenyl]cyclopropane-1-carboxylic acid
CID 82039142
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
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1-(5-methyl-1H-pyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 82611608

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid (CID 142580385) is 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid is O=C(O)C1(c2ccc3c(n2)CCN3)CCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid?
The InChIKey is OPKYXDNPNSJETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11(16)12(5-1-6-12)10-3-2-8-9(14-10)4-7-13-8/h2-3,13H,1,4-7H2,(H,15,16).
What are the key properties of 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid?
1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid has a molecular weight of 218.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-pyrrolo[3,2-b]pyridin-5-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 142580385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).