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

C11H20N2O5 — CID 107838552

IUPAC4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)CN(C(=O)NCCC(O)C(=O)O)CCO1
InChIInChI=1S/C11H20N2O5/c1-11(2)7-13(5-6-18-11)10(17)12-4-3-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyZEQPFEOXGPGXAP-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

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

4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid (PubChem CID 107838552) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
PubChem CID107838552
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
SMILESCC1(C)CN(C(=O)NCCC(O)C(=O)O)CCO1
InChIInChI=1S/C11H20N2O5/c1-11(2)7-13(5-6-18-11)10(17)12-4-3-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyZEQPFEOXGPGXAP-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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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Related Compounds

(2S)-2-hydroxy-4-(morpholine-4-carbonylamino)butanoic acid
CID 104934111
(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 107839512
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
(2S)-4-[(2,2-dimethylthiomorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid
CID 114007751
2-hydroxy-4-[(3-methoxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107841554
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202221
3-[(2,2-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61202209
N-benzyl-2,2-dimethylmorpholine-4-carboxamide
CID 38286944
(2S)-2-hydroxy-4-[(4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107835108
(2S)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61202575
(2R)-2-[(2,2-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353177
2,2-dimethyl-N-[(1-phenylcyclopropyl)methyl]morpholine-4-carboxamide
CID 38290092

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid (CID 107838552) is 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid is CC1(C)CN(C(=O)NCCC(O)C(=O)O)CCO1.
What is the InChIKey of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
The InChIKey is ZEQPFEOXGPGXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2)7-13(5-6-18-11)10(17)12-4-3-8(14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid?
4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylmorpholine-4-carbonyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107838552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).