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

C11H14N2O3 — CID 129372460

IUPAC2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCOc2cccnc21
InChIInChI=1S/C11H14N2O3/c1-13(7-10(14)15)8-4-6-16-9-3-2-5-12-11(8)9/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyOMGYMJJTQVAHEE-MRVPVSSYSA-N
MW222.24 g/mol
LogP0.92
Rot. Bonds3

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

2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid (PubChem CID 129372460) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid
PubChem CID129372460
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)[C@@H]1CCOc2cccnc21
InChIInChI=1S/C11H14N2O3/c1-13(7-10(14)15)8-4-6-16-9-3-2-5-12-11(8)9/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyOMGYMJJTQVAHEE-MRVPVSSYSA-N
XLogP0.92
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

4-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylamino)butylcarbamic acid
CID 154115939
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
N'-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]-1H-benzimidazol-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 11993700
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
2-[3,4-dihydro-2H-chromen-4-yl(2-methylpropyl)amino]acetic acid
CID 65064001
9H-fluoren-9-ylmethyl 4-[2-[[3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl(methyl)amino]methyl]imidazo[1,2-c]pyrimidin-5-yl]piperazine-1-carboxylate
CID 135375506
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-methyl-N-(pyridin-2-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 134793852
3-[tert-butyl(3,4-dihydro-2H-chromen-4-yl)amino]propanoic acid
CID 65058709

Frequently Asked Questions

What is the IUPAC name of 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid (CID 129372460) is 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)[C@@H]1CCOc2cccnc21.
What is the InChIKey of 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid?
The InChIKey is OMGYMJJTQVAHEE-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(7-10(14)15)8-4-6-16-9-3-2-5-12-11(8)9/h2-3,5,8H,4,6-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid?
2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid has a molecular weight of 222.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 129372460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).