2-amino-1-(furan-3-yl)propane-1,3-diol

C7H11NO3 — CID 66204732

IUPAC2-amino-1-(furan-3-yl)propane-1,3-diol
SMILESNC(CO)C(O)c1ccoc1
InChIInChI=1S/C7H11NO3/c8-6(3-9)7(10)5-1-2-11-4-5/h1-2,4,6-7,9-10H,3,8H2
InChIKeyFKEIKPZWGCZTAP-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.37
Rot. Bonds3

About 2-amino-1-(furan-3-yl)propane-1,3-diol

2-amino-1-(furan-3-yl)propane-1,3-diol (PubChem CID 66204732) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-amino-1-(furan-3-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-amino-1-(furan-3-yl)propane-1,3-diol
PubChem CID66204732
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-amino-1-(furan-3-yl)propane-1,3-diol
SMILESNC(CO)C(O)c1ccoc1
InChIInChI=1S/C7H11NO3/c8-6(3-9)7(10)5-1-2-11-4-5/h1-2,4,6-7,9-10H,3,8H2
InChIKeyFKEIKPZWGCZTAP-UHFFFAOYSA-N
XLogP-0.37
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-(furan-3-yl)ethanol;hydrochloride
CID 171212353
2-amino-3-(furan-3-yl)-3-hydroxypropanoic acid
CID 66207169
furan-3-ylmethanediamine
CID 54545098
(1R)-1-(furan-3-yl)propane-1,3-diol
CID 124583240
3-amino-1-(furan-3-yl)-2,2-dimethylpropan-1-ol
CID 79138827
ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
CID 171865500
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
(2R,3R)-2-amino-3-(furan-3-yl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 25155665
2-amino-1-(4-methoxyphenyl)propane-1,3-diol
CID 66204933
bis(2-amino-1-phenylpropane-1,3-diol);sulfuric acid
CID 138397343
1,2-bis(furan-3-yl)ethanol
CID 83172033

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(furan-3-yl)propane-1,3-diol?
The IUPAC name of 2-amino-1-(furan-3-yl)propane-1,3-diol (CID 66204732) is 2-amino-1-(furan-3-yl)propane-1,3-diol.
What is the SMILES notation for 2-amino-1-(furan-3-yl)propane-1,3-diol?
The canonical SMILES for 2-amino-1-(furan-3-yl)propane-1,3-diol is NC(CO)C(O)c1ccoc1.
What is the InChIKey of 2-amino-1-(furan-3-yl)propane-1,3-diol?
The InChIKey is FKEIKPZWGCZTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c8-6(3-9)7(10)5-1-2-11-4-5/h1-2,4,6-7,9-10H,3,8H2.
What are the key properties of 2-amino-1-(furan-3-yl)propane-1,3-diol?
2-amino-1-(furan-3-yl)propane-1,3-diol has a molecular weight of 157.17 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(furan-3-yl)propane-1,3-diol is sourced from PubChem (CID 66204732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).