(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol

C10H15NO3 — CID 55263117

IUPAC(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol
SMILESN[C@H](CO)C[C@@H](O)c1cccc(O)c1
InChIInChI=1S/C10H15NO3/c11-8(6-12)5-10(14)7-2-1-3-9(13)4-7/h1-4,8,10,12-14H,5-6,11H2/t8-,10+/m0/s1
InChIKeyJCEDTAGTKOMBBJ-WCBMZHEXSA-N
MW197.23 g/mol
LogP0.14
Rot. Bonds4

About (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol

(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol (PubChem CID 55263117) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol
PubChem CID55263117
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol
SMILESN[C@H](CO)C[C@@H](O)c1cccc(O)c1
InChIInChI=1S/C10H15NO3/c11-8(6-12)5-10(14)7-2-1-3-9(13)4-7/h1-4,8,10,12-14H,5-6,11H2/t8-,10+/m0/s1
InChIKeyJCEDTAGTKOMBBJ-WCBMZHEXSA-N
XLogP0.14
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1S,3S)-3-amino-1-hydroxy-4,4-dimethylpentyl]phenol;hydrochloride
CID 171237097
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CID 70582339
3-[(2S)-2-amino-1-hydroxypropyl]phenol
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3-[(1R,2S)-2-amino-1-hydroxypropyl]phenol;benzene
CID 70466970
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
3-[(1S,2S)-1,2-diaminopropyl]phenol
CID 130820529
3-(1-amino-2-fluoroethyl)phenol
CID 83815443
3-[(1R)-1-amino-3-methylbutyl]phenol
CID 130824054
3-(2-amino-1-hydroxyethyl)phenol;hydrogen sulfite
CID 25267770
3-[(1S)-1-hydroxy-2-(methylamino)ethyl]phenol;hydrochloride
CID 16745125
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol?
The IUPAC name of (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol (CID 55263117) is (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol.
What is the SMILES notation for (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol?
The canonical SMILES for (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol is N[C@H](CO)C[C@@H](O)c1cccc(O)c1.
What is the InChIKey of (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol?
The InChIKey is JCEDTAGTKOMBBJ-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H15NO3/c11-8(6-12)5-10(14)7-2-1-3-9(13)4-7/h1-4,8,10,12-14H,5-6,11H2/t8-,10+/m0/s1.
What are the key properties of (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol?
(1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol has a molecular weight of 197.23 g/mol, XLogP of 0.14, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-3-amino-1-(3-hydroxyphenyl)butane-1,4-diol is sourced from PubChem (CID 55263117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).