trans-(1R,3R)-2-aminocyclopentane-1,3-diol

C5H11NO2 — CID 11768778

IUPACtrans-(1R,3R)-2-aminocyclopentane-1,3-diol
SMILESNC1[C@H](O)CC[C@H]1O
InChIInChI=1S/C5H11NO2/c6-5-3(7)1-2-4(5)8/h3-5,7-8H,1-2,6H2/t3-,4-/m1/s1
InChIKeyIKOXIDCLHJCBMV-QWWZWVQMSA-N
MW117.15 g/mol
LogP-1.17
Rot. Bonds

About trans-(1R,3R)-2-aminocyclopentane-1,3-diol

trans-(1R,3R)-2-aminocyclopentane-1,3-diol (PubChem CID 11768778) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is trans-(1R,3R)-2-aminocyclopentane-1,3-diol.

Molecular Properties

Compound Nametrans-(1R,3R)-2-aminocyclopentane-1,3-diol
PubChem CID11768778
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Nametrans-(1R,3R)-2-aminocyclopentane-1,3-diol
SMILESNC1[C@H](O)CC[C@H]1O
InChIInChI=1S/C5H11NO2/c6-5-3(7)1-2-4(5)8/h3-5,7-8H,1-2,6H2/t3-,4-/m1/s1
InChIKeyIKOXIDCLHJCBMV-QWWZWVQMSA-N
XLogP-1.17
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze trans-(1R,3R)-2-aminocyclopentane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

rac-(1R,2R)-2-aminocyclopentan-1-ol
CID 10464306
NoName_4581
CID 143443
(1S,2S)-2-aminocyclopentan-1-ol hydrochloride
CID 16211106
(1s,2s,3r,4r)-4-Aminocyclopentane-1,2,3-Triol
CID 11593442
(1R,2R)-2-aminocyclopentan-1-ol hydrochloride
CID 12886906
(1R,2S)-2-aminocyclopentan-1-ol hydrochloride
CID 16211105
(1S,2R)-2-aminocyclopentan-1-ol hydrochloride
CID 17039404
[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]azanium
CID 72199785
(1S,2R)-2-Aminocyclopentanol
CID 12886904
trans 2-Hydroxycyclopentan-2-aminium chloride
CID 139071897
rac-(1R,3S,4S)-4-aminocyclopentane-1,3-diol hydrochloride
CID 138987873
rac-(1R,3R,4R)-4-aminocyclopentane-1,3-diol hydrochloride
CID 165879456

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-2-aminocyclopentane-1,3-diol?
The IUPAC name of trans-(1R,3R)-2-aminocyclopentane-1,3-diol (CID 11768778) is trans-(1R,3R)-2-aminocyclopentane-1,3-diol.
What is the SMILES notation for trans-(1R,3R)-2-aminocyclopentane-1,3-diol?
The canonical SMILES for trans-(1R,3R)-2-aminocyclopentane-1,3-diol is NC1[C@H](O)CC[C@H]1O.
What is the InChIKey of trans-(1R,3R)-2-aminocyclopentane-1,3-diol?
The InChIKey is IKOXIDCLHJCBMV-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H11NO2/c6-5-3(7)1-2-4(5)8/h3-5,7-8H,1-2,6H2/t3-,4-/m1/s1.
What are the key properties of trans-(1R,3R)-2-aminocyclopentane-1,3-diol?
trans-(1R,3R)-2-aminocyclopentane-1,3-diol has a molecular weight of 117.15 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-2-aminocyclopentane-1,3-diol is sourced from PubChem (CID 11768778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).