ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate

C15H27NO7 — CID 11416335

IUPACethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)OCC)C[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27NO7/c1-4-7-16(8-5-2)13(19)12-11(18)10(17)9-15(21,23-12)14(20)22-6-3/h10-12,17-18,21H,4-9H2,1-3H3/t10-,11-,12-,15?/m1/s1
InChIKeyOUYFVTYJVVUMKO-IUUYLUPUSA-N
MW333.38 g/mol
LogP-0.60
Rot. Bonds7

About ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate

ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate (PubChem CID 11416335) has the molecular formula C15H27NO7 and a molecular weight of 333.38 g/mol. Its IUPAC name is ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate
PubChem CID11416335
Molecular FormulaC15H27NO7
Molecular Weight333.38 g/mol
Exact Mass333.18
IUPAC Nameethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate
SMILESCCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)OCC)C[C@@H](O)[C@H]1O
InChIInChI=1S/C15H27NO7/c1-4-7-16(8-5-2)13(19)12-11(18)10(17)9-15(21,23-12)14(20)22-6-3/h10-12,17-18,21H,4-9H2,1-3H3/t10-,11-,12-,15?/m1/s1
InChIKeyOUYFVTYJVVUMKO-IUUYLUPUSA-N
XLogP-0.60
TPSA116.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate 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 ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate?
The IUPAC name of ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate (CID 11416335) is ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate.
What is the SMILES notation for ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate?
The canonical SMILES for ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate is CCCN(CCC)C(=O)[C@@H]1OC(O)(C(=O)OCC)C[C@@H](O)[C@H]1O.
What is the InChIKey of ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate?
The InChIKey is OUYFVTYJVVUMKO-IUUYLUPUSA-N. The full InChI is InChI=1S/C15H27NO7/c1-4-7-16(8-5-2)13(19)12-11(18)10(17)9-15(21,23-12)14(20)22-6-3/h10-12,17-18,21H,4-9H2,1-3H3/t10-,11-,12-,15?/m1/s1.
What are the key properties of ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate?
ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate has a molecular weight of 333.38 g/mol, XLogP of -0.60, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R,6R)-6-(dipropylcarbamoyl)-2,4,5-trihydroxyoxane-2-carboxylate is sourced from PubChem (CID 11416335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).