4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C12H22N2O5 — CID 66002610

IUPAC4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1(C)C)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-11(2)8-19-5-4-14(11)10(17)13-7-12(3,18)6-9(15)16/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyCPXPMHOMQSNZGA-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds4

About 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66002610) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66002610
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCC(O)(CNC(=O)N1CCOCC1(C)C)CC(=O)O
InChIInChI=1S/C12H22N2O5/c1-11(2)8-19-5-4-14(11)10(17)13-7-12(3,18)6-9(15)16/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyCPXPMHOMQSNZGA-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66002610) is 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CC(O)(CNC(=O)N1CCOCC1(C)C)CC(=O)O.
What is the InChIKey of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is CPXPMHOMQSNZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-11(2)8-19-5-4-14(11)10(17)13-7-12(3,18)6-9(15)16/h18H,4-8H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66002610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).