(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol

C9H19NO5 — CID 90693949

IUPAC(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOCC(CO)N[C@@H]1[C@H](CO)C[C@@H](O)[C@H]1O
InChIInChI=1S/C9H19NO5/c11-2-5-1-7(14)9(15)8(5)10-6(3-12)4-13/h5-15H,1-4H2/t5-,7+,8+,9+/m0/s1
InChIKeyUZQNPULPJCRCHW-KDBVAPGDSA-N
MW221.25 g/mol
LogP-2.97
Rot. Bonds5

About (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol

(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 90693949) has the molecular formula C9H19NO5 and a molecular weight of 221.25 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID90693949
Molecular FormulaC9H19NO5
Molecular Weight221.25 g/mol
Exact Mass221.13
IUPAC Name(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOCC(CO)N[C@@H]1[C@H](CO)C[C@@H](O)[C@H]1O
InChIInChI=1S/C9H19NO5/c11-2-5-1-7(14)9(15)8(5)10-6(3-12)4-13/h5-15H,1-4H2/t5-,7+,8+,9+/m0/s1
InChIKeyUZQNPULPJCRCHW-KDBVAPGDSA-N
XLogP-2.97
TPSA113.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.25
LogP ≤ 5-2.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol (CID 90693949) is (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol is OCC(CO)N[C@@H]1[C@H](CO)C[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is UZQNPULPJCRCHW-KDBVAPGDSA-N. The full InChI is InChI=1S/C9H19NO5/c11-2-5-1-7(14)9(15)8(5)10-6(3-12)4-13/h5-15H,1-4H2/t5-,7+,8+,9+/m0/s1.
What are the key properties of (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 221.25 g/mol, XLogP of -2.97, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(1,3-dihydroxypropan-2-ylamino)-4-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 90693949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).