(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol

C10H18N2O4 — CID 58451420

IUPAC(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
SMILESCCN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1
InChIInChI=1S/C10H18N2O4/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)9(6)16-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9+/m1/s1
InChIKeyNOSFIQWPAJVDBS-OKNNCHMLSA-N
MW230.26 g/mol
LogP-1.59
Rot. Bonds2

About (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol

(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol (PubChem CID 58451420) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol.

Molecular Properties

Compound Name(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
PubChem CID58451420
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol
SMILESCCN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1
InChIInChI=1S/C10H18N2O4/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)9(6)16-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9+/m1/s1
InChIKeyNOSFIQWPAJVDBS-OKNNCHMLSA-N
XLogP-1.59
TPSA85.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The IUPAC name of (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol (CID 58451420) is (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol.
What is the SMILES notation for (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The canonical SMILES for (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol is CCN(C)C1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)[C@@H]2O1.
What is the InChIKey of (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
The InChIKey is NOSFIQWPAJVDBS-OKNNCHMLSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)9(6)16-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9+/m1/s1.
What are the key properties of (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol?
(3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol has a molecular weight of 230.26 g/mol, XLogP of -1.59, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,5R,6R,6aS)-2-[ethyl(methyl)amino]-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol is sourced from PubChem (CID 58451420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).