ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate

C13H17NO3 — CID 165402705

IUPACethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C13H17NO3/c1-4-16-13(15)8(2)11-9(3)17-10-6-5-7-14-12(10)11/h5-9,11H,4H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyKCJHEBXGJLOUBR-FXPVBKGRSA-N
MW235.28 g/mol
LogP2.15
Rot. Bonds3

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

ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate (PubChem CID 165402705) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate
PubChem CID165402705
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Nameethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate
SMILESCCOC(=O)[C@H](C)[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C13H17NO3/c1-4-16-13(15)8(2)11-9(3)17-10-6-5-7-14-12(10)11/h5-9,11H,4H2,1-3H3/t8-,9-,11-/m1/s1
InChIKeyKCJHEBXGJLOUBR-FXPVBKGRSA-N
XLogP2.15
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
CID 174191549
ethyl 2-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)propanoate
CID 102773602
N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
CID 171469707
benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
CID 165402709
ethyl 3-sulfanylidene-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylate
CID 101201111
[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
CID 174191492
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
diethyl 2-(2-chloro-3-pyridinyl)propanedioate
CID 141446952
ethyl 2-chloro-2-(2-methyl-3-pyridinyl)acetate
CID 142676522
[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
CID 174191495

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate?
The IUPAC name of ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate (CID 165402705) is ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate.
What is the SMILES notation for ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate?
The canonical SMILES for ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate is CCOC(=O)[C@H](C)[C@H]1c2ncccc2O[C@@H]1C.
What is the InChIKey of ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate?
The InChIKey is KCJHEBXGJLOUBR-FXPVBKGRSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-16-13(15)8(2)11-9(3)17-10-6-5-7-14-12(10)11/h5-9,11H,4H2,1-3H3/t8-,9-,11-/m1/s1.
What are the key properties of ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate?
ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate has a molecular weight of 235.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propanoate is sourced from PubChem (CID 165402705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).