(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid

C10H16N2O5 — CID 28778484

IUPAC(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c11-8(13)5-7(10(15)16)12-9(14)6-1-3-17-4-2-6/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyRJVIZXFXXUQOHE-SSDOTTSWSA-N
MW244.25 g/mol
LogP-1.14
Rot. Bonds5

About (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid

(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid (PubChem CID 28778484) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid
PubChem CID28778484
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1CCOCC1)C(=O)O
InChIInChI=1S/C10H16N2O5/c11-8(13)5-7(10(15)16)12-9(14)6-1-3-17-4-2-6/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1
InChIKeyRJVIZXFXXUQOHE-SSDOTTSWSA-N
XLogP-1.14
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid (CID 28778484) is (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid?
The InChIKey is RJVIZXFXXUQOHE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N2O5/c11-8(13)5-7(10(15)16)12-9(14)6-1-3-17-4-2-6/h6-7H,1-5H2,(H2,11,13)(H,12,14)(H,15,16)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid?
(2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid has a molecular weight of 244.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(oxane-4-carbonylamino)-4-oxobutanoic acid is sourced from PubChem (CID 28778484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).