(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol

C6H13NO3 — CID 171920949

IUPAC(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESN[C@H]1C[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6-/m0/s1
InChIKeyFHNKBDPGQXLKRW-AZGQCCRYSA-N
MW147.17 g/mol
LogP-1.95
Rot. Bonds1

About (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 171920949) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID171920949
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESN[C@H]1C[C@@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C6H13NO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6-/m0/s1
InChIKeyFHNKBDPGQXLKRW-AZGQCCRYSA-N
XLogP-1.95
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099
(1S,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 98290063
(1R,2R,3S,5S)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
CID 121226647
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
(1S,3R,4R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 176819979
(1S,2S,3S,4S,5R)-5-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
CID 11332802
3-amino-6-(hydroxymethyl)oxepane-4,5-diol
CID 146664053
CID 59892756
CID 59892756
CID 140504974
CID 140504974

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 171920949) is (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol is N[C@H]1C[C@@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is FHNKBDPGQXLKRW-AZGQCCRYSA-N. The full InChI is InChI=1S/C6H13NO3/c7-4-1-3(2-8)5(9)6(4)10/h3-6,8-10H,1-2,7H2/t3-,4-,5+,6-/m0/s1.
What are the key properties of (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 147.17 g/mol, XLogP of -1.95, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 171920949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).