[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid

C12H16N2O3 — CID 174191492

IUPAC[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
SMILESCC[C@@H]1C[C@H](CNC(=O)O)c2ncccc2O1
InChIInChI=1S/C12H16N2O3/c1-2-9-6-8(7-14-12(15)16)11-10(17-9)4-3-5-13-11/h3-5,8-9,14H,2,6-7H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyRWGZHODKPQSLOW-RKDXNWHRSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds3

About [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid

[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid (PubChem CID 174191492) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
PubChem CID174191492
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid
SMILESCC[C@@H]1C[C@H](CNC(=O)O)c2ncccc2O1
InChIInChI=1S/C12H16N2O3/c1-2-9-6-8(7-14-12(15)16)11-10(17-9)4-3-5-13-11/h3-5,8-9,14H,2,6-7H2,1H3,(H,15,16)/t8-,9-/m1/s1
InChIKeyRWGZHODKPQSLOW-RKDXNWHRSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid?
The IUPAC name of [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid (CID 174191492) is [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid.
What is the SMILES notation for [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid?
The canonical SMILES for [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid is CC[C@@H]1C[C@H](CNC(=O)O)c2ncccc2O1.
What is the InChIKey of [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid?
The InChIKey is RWGZHODKPQSLOW-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-2-9-6-8(7-14-12(15)16)11-10(17-9)4-3-5-13-11/h3-5,8-9,14H,2,6-7H2,1H3,(H,15,16)/t8-,9-/m1/s1.
What are the key properties of [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid?
[(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid has a molecular weight of 236.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-ethyl-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]methylcarbamic acid is sourced from PubChem (CID 174191492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).