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

C10H19NO3 — CID 75529441

IUPAC(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](NC2CCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO3/c12-5-6-4-8(10(14)9(6)13)11-7-2-1-3-7/h6-14H,1-5H2/t6-,8-,9-,10+/m1/s1
InChIKeyCIYCMWPJFCHYNR-QQRDMOCMSA-N
MW201.27 g/mol
LogP-0.77
Rot. Bonds3

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

(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol (PubChem CID 75529441) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol
PubChem CID75529441
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol
SMILESOC[C@H]1C[C@@H](NC2CCC2)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H19NO3/c12-5-6-4-8(10(14)9(6)13)11-7-2-1-3-7/h6-14H,1-5H2/t6-,8-,9-,10+/m1/s1
InChIKeyCIYCMWPJFCHYNR-QQRDMOCMSA-N
XLogP-0.77
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol (CID 75529441) is (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol is OC[C@H]1C[C@@H](NC2CCC2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol?
The InChIKey is CIYCMWPJFCHYNR-QQRDMOCMSA-N. The full InChI is InChI=1S/C10H19NO3/c12-5-6-4-8(10(14)9(6)13)11-7-2-1-3-7/h6-14H,1-5H2/t6-,8-,9-,10+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol has a molecular weight of 201.27 g/mol, XLogP of -0.77, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-(cyclobutylamino)-5-(hydroxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75529441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).