(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid

C11H13NO3 — CID 174191536

IUPAC(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid
SMILESC[C@H]1Oc2cccnc2[C@@H]1[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-6(11(13)14)9-7(2)15-8-4-3-5-12-10(8)9/h3-7,9H,1-2H3,(H,13,14)/t6-,7-,9-/m1/s1
InChIKeyQGDUOXQOUFTFPD-ZXFLCMHBSA-N
MW207.23 g/mol
LogP1.67
Rot. Bonds2

About (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid

(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid (PubChem CID 174191536) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid
PubChem CID174191536
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid
SMILESC[C@H]1Oc2cccnc2[C@@H]1[C@@H](C)C(=O)O
InChIInChI=1S/C11H13NO3/c1-6(11(13)14)9-7(2)15-8-4-3-5-12-10(8)9/h3-7,9H,1-2H3,(H,13,14)/t6-,7-,9-/m1/s1
InChIKeyQGDUOXQOUFTFPD-ZXFLCMHBSA-N
XLogP1.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid with MolForge

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Related Compounds

ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate
CID 165402705
2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
CID 174191549
ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate
CID 165402702
[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
CID 165402682
benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
CID 165402709
N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
CID 171469707
tert-butyl N-ethyl-N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]carbamate
CID 171469703
[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
CID 174191492
2-(dipyridin-2-ylamino)propanoic acid
CID 138338502
[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
CID 174191495
2-methyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51284843
N,2-dimethyl-N-(1-phenylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51286352

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid?
The IUPAC name of (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid (CID 174191536) is (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid is C[C@H]1Oc2cccnc2[C@@H]1[C@@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid?
The InChIKey is QGDUOXQOUFTFPD-ZXFLCMHBSA-N. The full InChI is InChI=1S/C11H13NO3/c1-6(11(13)14)9-7(2)15-8-4-3-5-12-10(8)9/h3-7,9H,1-2H3,(H,13,14)/t6-,7-,9-/m1/s1.
What are the key properties of (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid?
(2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoic acid is sourced from PubChem (CID 174191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).