4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid

C13H24N2O5 — CID 114777599

IUPAC4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CC(CO)OC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(11(17)18)4-5-14-12(19)15-6-10(7-16)20-13(2,3)8-15/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyCVKPNKOUEUWARG-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.28
Rot. Bonds5

About 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid

4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid (PubChem CID 114777599) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
PubChem CID114777599
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)N1CC(CO)OC(C)(C)C1)C(=O)O
InChIInChI=1S/C13H24N2O5/c1-9(11(17)18)4-5-14-12(19)15-6-10(7-16)20-13(2,3)8-15/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKeyCVKPNKOUEUWARG-UHFFFAOYSA-N
XLogP0.28
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
CID 114777782
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
2-methyl-5-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 102744984
(2S)-2-hydroxy-4-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 107839512
[1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 114779000
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 114777725
5-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686844
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
3-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-4,4-dimethylpentan-1-one
CID 114776669
2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)butanoic acid
CID 80541178

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid (CID 114777599) is 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)N1CC(CO)OC(C)(C)C1)C(=O)O.
What is the InChIKey of 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid?
The InChIKey is CVKPNKOUEUWARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5/c1-9(11(17)18)4-5-14-12(19)15-6-10(7-16)20-13(2,3)8-15/h9-10,16H,4-8H2,1-3H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid?
4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid has a molecular weight of 288.34 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 114777599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).