2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid

C11H20N2O5 — CID 61200721

IUPAC2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCOC(C)(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(14)8(9(15)16)12-10(17)13-4-5-18-11(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyQRIBNFBNHAJWNK-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds3

About 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid

2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 61200721) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID61200721
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)N1CCOC(C)(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-7(14)8(9(15)16)12-10(17)13-4-5-18-11(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16)
InChIKeyQRIBNFBNHAJWNK-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid (CID 61200721) is 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)N1CCOC(C)(C)C1)C(=O)O.
What is the InChIKey of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is QRIBNFBNHAJWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(14)8(9(15)16)12-10(17)13-4-5-18-11(2,3)6-13/h7-8,14H,4-6H2,1-3H3,(H,12,17)(H,15,16).
What are the key properties of 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61200721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).