[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid

C11H14N2O4 — CID 174191495

IUPAC[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
SMILESCOC[C@H]1Oc2cccnc2[C@@H]1CNC(=O)O
InChIInChI=1S/C11H14N2O4/c1-16-6-9-7(5-13-11(14)15)10-8(17-9)3-2-4-12-10/h2-4,7,9,13H,5-6H2,1H3,(H,14,15)/t7-,9-/m1/s1
InChIKeyVPZGCQUKJPFVDS-VXNVDRBHSA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds4

About [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid

[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid (PubChem CID 174191495) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
PubChem CID174191495
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid
SMILESCOC[C@H]1Oc2cccnc2[C@@H]1CNC(=O)O
InChIInChI=1S/C11H14N2O4/c1-16-6-9-7(5-13-11(14)15)10-8(17-9)3-2-4-12-10/h2-4,7,9,13H,5-6H2,1H3,(H,14,15)/t7-,9-/m1/s1
InChIKeyVPZGCQUKJPFVDS-VXNVDRBHSA-N
XLogP0.84
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid?
The IUPAC name of [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid (CID 174191495) is [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid.
What is the SMILES notation for [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid?
The canonical SMILES for [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid is COC[C@H]1Oc2cccnc2[C@@H]1CNC(=O)O.
What is the InChIKey of [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid?
The InChIKey is VPZGCQUKJPFVDS-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-16-6-9-7(5-13-11(14)15)10-8(17-9)3-2-4-12-10/h2-4,7,9,13H,5-6H2,1H3,(H,14,15)/t7-,9-/m1/s1.
What are the key properties of [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid?
[(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid has a molecular weight of 238.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-(methoxymethyl)-2,3-dihydrofuro[3,2-b]pyridin-3-yl]methylcarbamic acid is sourced from PubChem (CID 174191495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).