(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol

C5H12N2O2 — CID 11356181

IUPAC(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol
SMILESN[C@H]1[C@@H](O)[C@@H](O)C[C@@H]1N
InChIInChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/t2-,3-,4+,5-/m0/s1
InChIKeySPUJACCASZGKBX-KLVWXMOXSA-N
MW132.16 g/mol
LogP-2.23
Rot. Bonds

About (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol

(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol (PubChem CID 11356181) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol.

Molecular Properties

Compound Name(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol
PubChem CID11356181
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol
SMILESN[C@H]1[C@@H](O)[C@@H](O)C[C@@H]1N
InChIInChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/t2-,3-,4+,5-/m0/s1
InChIKeySPUJACCASZGKBX-KLVWXMOXSA-N
XLogP-2.23
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-2.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2R,3S,4R,5S)-4,5-diaminocyclohexane-1,2,3-triol
CID 11160674
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
CID 101174651
(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
CID 73424715
(1S,2R,3S,4S,5R)-2,5-diamino-4-methoxycyclohexane-1,3-diol
CID 138571231
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,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
2,4-diaminocyclohexane-1,3-diol
CID 14760875
(1S,2S,4R,5R)-cyclohexane-1,2,3,4,5-pentol
CID 10964847
(1S,2R,4S,5S)-3,6-diaminocyclohexane-1,2,4,5-tetrol
CID 130935032
trans-(1R,3R)-2-aminocyclopentane-1,3-diol
CID 11768778
trans-(1R,3R)-cyclohexane-1,2,3,5-tetrol
CID 45102944

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol?
The IUPAC name of (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol (CID 11356181) is (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol.
What is the SMILES notation for (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol?
The canonical SMILES for (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol is N[C@H]1[C@@H](O)[C@@H](O)C[C@@H]1N.
What is the InChIKey of (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol?
The InChIKey is SPUJACCASZGKBX-KLVWXMOXSA-N. The full InChI is InChI=1S/C5H12N2O2/c6-2-1-3(8)5(9)4(2)7/h2-5,8-9H,1,6-7H2/t2-,3-,4+,5-/m0/s1.
What are the key properties of (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol?
(1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol has a molecular weight of 132.16 g/mol, XLogP of -2.23, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3R,4S)-3,4-diaminocyclopentane-1,2-diol is sourced from PubChem (CID 11356181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).