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

C12H15NO3 — CID 165402702

IUPACethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C12H15NO3/c1-3-15-11(14)7-9-8(2)16-10-5-4-6-13-12(9)10/h4-6,8-9H,3,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyIUZRGAXSHRLMLR-RKDXNWHRSA-N
MW221.26 g/mol
LogP1.90
Rot. Bonds3

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

ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate (PubChem CID 165402702) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate
PubChem CID165402702
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate
SMILESCCOC(=O)C[C@H]1c2ncccc2O[C@@H]1C
InChIInChI=1S/C12H15NO3/c1-3-15-11(14)7-9-8(2)16-10-5-4-6-13-12(9)10/h4-6,8-9H,3,7H2,1-2H3/t8-,9-/m1/s1
InChIKeyIUZRGAXSHRLMLR-RKDXNWHRSA-N
XLogP1.90
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate 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
[(2R,3R)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methanamine;dihydrochloride
CID 165402682
N-[[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methyl]ethanamine
CID 171469707
2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
CID 174191549
[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
CID 174191495
benzyl N-[2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-yl]carbamate
CID 165402709
ethyl propanoate;pyrimidin-2-amine
CID 175262860
ethyl 4-(2-amino-3-pyridinyl)but-3-ynoate
CID 170470682
[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
CID 174191492
ethyl 3-sulfanylidene-4H-pyrido[3,2-b][1,4]oxazine-2-carboxylate
CID 101201111
ethyl 4-(3-ethyl-2-pyridinyl)-4-oxobutanoate
CID 82741416
ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate (CID 165402702) is ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate is CCOC(=O)C[C@H]1c2ncccc2O[C@@H]1C.
What is the InChIKey of ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate?
The InChIKey is IUZRGAXSHRLMLR-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-15-11(14)7-9-8(2)16-10-5-4-6-13-12(9)10/h4-6,8-9H,3,7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate?
ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate has a molecular weight of 221.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]acetate is sourced from PubChem (CID 165402702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).