1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol

C13H20N2O3 — CID 164982320

IUPAC1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
SMILESCc1nc(C(C)(O)CN)cc2c1OC[C@]2(C)CO
InChIInChI=1S/C13H20N2O3/c1-8-11-9(12(2,6-16)7-18-11)4-10(15-8)13(3,17)5-14/h4,16-17H,5-7,14H2,1-3H3/t12-,13?/m0/s1
InChIKeyFAEYKGOUWYTACT-UEWDXFNNSA-N
MW252.31 g/mol
LogP0.20
Rot. Bonds3

About 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol

1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol (PubChem CID 164982320) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
PubChem CID164982320
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol
SMILESCc1nc(C(C)(O)CN)cc2c1OC[C@]2(C)CO
InChIInChI=1S/C13H20N2O3/c1-8-11-9(12(2,6-16)7-18-11)4-10(15-8)13(3,17)5-14/h4,16-17H,5-7,14H2,1-3H3/t12-,13?/m0/s1
InChIKeyFAEYKGOUWYTACT-UEWDXFNNSA-N
XLogP0.20
TPSA88.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol?
The IUPAC name of 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol (CID 164982320) is 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol.
What is the SMILES notation for 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol?
The canonical SMILES for 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol is Cc1nc(C(C)(O)CN)cc2c1OC[C@]2(C)CO.
What is the InChIKey of 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol?
The InChIKey is FAEYKGOUWYTACT-UEWDXFNNSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-11-9(12(2,6-16)7-18-11)4-10(15-8)13(3,17)5-14/h4,16-17H,5-7,14H2,1-3H3/t12-,13?/m0/s1.
What are the key properties of 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol?
1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol has a molecular weight of 252.31 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[(3S)-3-(hydroxymethyl)-3,7-dimethyl-2H-furo[2,3-c]pyridin-5-yl]propan-2-ol is sourced from PubChem (CID 164982320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).