2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid

C11H21NO3 — CID 62272293

IUPAC2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCOC(C)C1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-11(3,10(13)14)8-12-5-6-15-9(2)7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOKSQDKZGAUGCCU-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds4

About 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid

2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid (PubChem CID 62272293) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
PubChem CID62272293
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid
SMILESCCC(C)(CN1CCOC(C)C1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-4-11(3,10(13)14)8-12-5-6-15-9(2)7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOKSQDKZGAUGCCU-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic 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

1-amino-2-methyl-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 64818772
2,2-dimethyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 62271256
2-cyclopropyl-2-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propanoic acid
CID 63907482
2-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]butanoic acid
CID 63171249
2,2-dimethyl-3-(2-methylmorpholin-4-yl)propanal
CID 62276745
2-ethyl-2-(2-methylmorpholin-4-yl)butanoic acid
CID 82238422
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
2-methyl-2-[(3-phenylpyrrolidin-1-yl)methyl]butanoic acid
CID 62272328
N,2-dimethyl-1-(2-methylmorpholin-4-yl)propan-2-amine
CID 62848033
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)-2-(propan-2-ylamino)propanoic acid
CID 62974038

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid (CID 62272293) is 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid is CCC(C)(CN1CCOC(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid?
The InChIKey is OKSQDKZGAUGCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-11(3,10(13)14)8-12-5-6-15-9(2)7-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid?
2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylmorpholin-4-yl)methyl]butanoic acid is sourced from PubChem (CID 62272293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).