(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol

C8H13NO3 — CID 130739101

IUPAC(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccc(CO)o1
InChIInChI=1S/C8H13NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,5,8,10-11H,4,9H2,1H3/t5-,8+/m0/s1
InChIKeyRRTASOCEZJZBLS-YLWLKBPMSA-N
MW171.20 g/mol
LogP0.15
Rot. Bonds3

About (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol

(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol (PubChem CID 130739101) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
PubChem CID130739101
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol
SMILESC[C@H](O)[C@@H](N)c1ccc(CO)o1
InChIInChI=1S/C8H13NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,5,8,10-11H,4,9H2,1H3/t5-,8+/m0/s1
InChIKeyRRTASOCEZJZBLS-YLWLKBPMSA-N
XLogP0.15
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S)-1-amino-1-(5-ethylfuran-2-yl)propan-2-ol
CID 130625362
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
[5-[(1R)-1-amino-2,2-dimethylpropyl]furan-2-yl]methanol;hydrochloride
CID 171250266
1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-one
CID 55292431
ethyl (3R)-3-amino-2-fluoro-3-[5-(hydroxymethyl)furan-2-yl]propanoate
CID 171243533
[5-[(1S)-1,3-diaminopropyl]furan-2-yl]methanol
CID 171231063
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
[5-[(1S)-1-amino-2,2,2-trifluoroethyl]furan-2-yl]methanol
CID 130913224
3-amino-3-[5-(hydroxymethyl)furan-2-yl]propanamide
CID 55255526
[5-[1-(1-methoxyethoxy)ethyl]furan-2-yl]methanol
CID 121368855
2,3-dihydroxy-1-[5-(hydroxymethyl)furan-2-yl]butan-1-one
CID 123406498
[5-[(1S)-1-amino-4,4,4-trifluorobutyl]furan-2-yl]methanol
CID 171231086

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol (CID 130739101) is (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol is C[C@H](O)[C@@H](N)c1ccc(CO)o1.
What is the InChIKey of (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol?
The InChIKey is RRTASOCEZJZBLS-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(11)8(9)7-3-2-6(4-10)12-7/h2-3,5,8,10-11H,4,9H2,1H3/t5-,8+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol?
(1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol has a molecular weight of 171.20 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[5-(hydroxymethyl)furan-2-yl]propan-2-ol is sourced from PubChem (CID 130739101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).