(1S,2S,4R)-2,4-diaminocyclopentan-1-ol

C5H12N2O — CID 11629596

IUPAC(1S,2S,4R)-2,4-diaminocyclopentan-1-ol
SMILESN[C@@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C5H12N2O/c6-3-1-4(7)5(8)2-3/h3-5,8H,1-2,6-7H2/t3-,4+,5+/m1/s1
InChIKeyQPUSHXFQGDMBJS-WISUUJSJSA-N
MW116.16 g/mol
LogP-1.20
Rot. Bonds

About (1S,2S,4R)-2,4-diaminocyclopentan-1-ol

(1S,2S,4R)-2,4-diaminocyclopentan-1-ol (PubChem CID 11629596) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (1S,2S,4R)-2,4-diaminocyclopentan-1-ol.

Molecular Properties

Compound Name(1S,2S,4R)-2,4-diaminocyclopentan-1-ol
PubChem CID11629596
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(1S,2S,4R)-2,4-diaminocyclopentan-1-ol
SMILESN[C@@H]1C[C@H](N)[C@@H](O)C1
InChIInChI=1S/C5H12N2O/c6-3-1-4(7)5(8)2-3/h3-5,8H,1-2,6-7H2/t3-,4+,5+/m1/s1
InChIKeyQPUSHXFQGDMBJS-WISUUJSJSA-N
XLogP-1.20
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,2S,4R)-2,4-diaminocyclopentan-1-ol 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
(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
3-Aminocyclopentanol hydrochloride
CID 19818428
rac-(1R,3R)-3-aminocyclopentan-1-ol hydrochloride
CID 42609651
(1S,3S)-3-Aminocyclopentan-1-ol
CID 42614395
(1S,3R)-3-Aminocyclopentanol hydrochloride
CID 56845290
(1S,3S)-3-aminocyclopentan-1-ol hydrochloride
CID 67639271
3-Aminocyclopentanol
CID 14299310

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2,4-diaminocyclopentan-1-ol?
The IUPAC name of (1S,2S,4R)-2,4-diaminocyclopentan-1-ol (CID 11629596) is (1S,2S,4R)-2,4-diaminocyclopentan-1-ol.
What is the SMILES notation for (1S,2S,4R)-2,4-diaminocyclopentan-1-ol?
The canonical SMILES for (1S,2S,4R)-2,4-diaminocyclopentan-1-ol is N[C@@H]1C[C@H](N)[C@@H](O)C1.
What is the InChIKey of (1S,2S,4R)-2,4-diaminocyclopentan-1-ol?
The InChIKey is QPUSHXFQGDMBJS-WISUUJSJSA-N. The full InChI is InChI=1S/C5H12N2O/c6-3-1-4(7)5(8)2-3/h3-5,8H,1-2,6-7H2/t3-,4+,5+/m1/s1.
What are the key properties of (1S,2S,4R)-2,4-diaminocyclopentan-1-ol?
(1S,2S,4R)-2,4-diaminocyclopentan-1-ol has a molecular weight of 116.16 g/mol, XLogP of -1.20, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2,4-diaminocyclopentan-1-ol is sourced from PubChem (CID 11629596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).