(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol

C8H13NO3 — CID 104874092

IUPAC(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCc1ccoc1
InChIInChI=1S/C8H13NO3/c10-5-8(11)4-9-3-7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-/m0/s1
InChIKeyQOEDCNLAPUQFTM-QMMMGPOBSA-N
MW171.20 g/mol
LogP-0.28
Rot. Bonds5

About (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol

(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol (PubChem CID 104874092) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
PubChem CID104874092
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
SMILESOC[C@@H](O)CNCc1ccoc1
InChIInChI=1S/C8H13NO3/c10-5-8(11)4-9-3-7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-/m0/s1
InChIKeyQOEDCNLAPUQFTM-QMMMGPOBSA-N
XLogP-0.28
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-ylmethylamino)-3,3-dimethylbutan-2-ol
CID 115623547
1-(furan-3-yl)-N-(furan-3-ylmethyl)methanamine
CID 115607346
1-cyclohexyl-2-(furan-3-ylmethylamino)ethanol;hydrochloride
CID 115608900
1-(2,6-difluorophenyl)-2-(furan-3-ylmethylamino)ethanol
CID 115644826
3-(furan-3-ylmethylsulfanyl)propane-1,2-diol
CID 83171742
(2S)-2-(furan-3-ylmethylamino)propan-1-ol
CID 103773853
N-(furan-3-ylmethyl)-2-methyl-3-methylsulfanylpropan-1-amine
CID 63982151
3,3,3-trifluoro-2-[(furan-3-ylmethylamino)methyl]propanoic acid
CID 103267898
3-[[3-(hydroxymethyl)phenyl]methylamino]propane-1,2-diol
CID 107230520
N-(furan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560326
2-(furan-3-ylmethylamino)acetic acid
CID 63204531
N-(furan-3-ylmethyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 115667010

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol?
The IUPAC name of (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol (CID 104874092) is (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol.
What is the SMILES notation for (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol?
The canonical SMILES for (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol is OC[C@@H](O)CNCc1ccoc1.
What is the InChIKey of (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol?
The InChIKey is QOEDCNLAPUQFTM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-8(11)4-9-3-7-1-2-12-6-7/h1-2,6,8-11H,3-5H2/t8-/m0/s1.
What are the key properties of (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol?
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol has a molecular weight of 171.20 g/mol, XLogP of -0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(furan-3-ylmethylamino)propane-1,2-diol is sourced from PubChem (CID 104874092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).