2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid

C12H16N2O3 — CID 174191549

IUPAC2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
SMILESC[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-9(12(2,3)14-11(15)16)10-8(17-7)5-4-6-13-10/h4-7,9,14H,1-3H3,(H,15,16)/t7-,9-/m1/s1
InChIKeyZCAAJHDZWBFJDR-VXNVDRBHSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds2

About 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid

2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid (PubChem CID 174191549) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid.

Molecular Properties

Compound Name2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
PubChem CID174191549
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid
SMILESC[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)O
InChIInChI=1S/C12H16N2O3/c1-7-9(12(2,3)14-11(15)16)10-8(17-7)5-4-6-13-10/h4-7,9,14H,1-3H3,(H,15,16)/t7-,9-/m1/s1
InChIKeyZCAAJHDZWBFJDR-VXNVDRBHSA-N
XLogP1.99
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid?
The IUPAC name of 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid (CID 174191549) is 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid.
What is the SMILES notation for 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid?
The canonical SMILES for 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid is C[C@H]1Oc2cccnc2[C@@H]1C(C)(C)NC(=O)O.
What is the InChIKey of 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid?
The InChIKey is ZCAAJHDZWBFJDR-VXNVDRBHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-7-9(12(2,3)14-11(15)16)10-8(17-7)5-4-6-13-10/h4-7,9,14H,1-3H3,(H,15,16)/t7-,9-/m1/s1.
What are the key properties of 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid?
2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid has a molecular weight of 236.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3S)-2-methyl-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-ylcarbamic acid is sourced from PubChem (CID 174191549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).