2-methyl-2-morpholin-4-ylbutanoic acid

C9H17NO3 — CID 43803225

IUPAC2-methyl-2-morpholin-4-ylbutanoic acid
SMILESCCC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyQTLLHCKRRLPJFG-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds3

About 2-methyl-2-morpholin-4-ylbutanoic acid

2-methyl-2-morpholin-4-ylbutanoic acid (PubChem CID 43803225) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-ylbutanoic acid
PubChem CID43803225
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methyl-2-morpholin-4-ylbutanoic acid
SMILESCCC(C)(C(=O)O)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12)
InChIKeyQTLLHCKRRLPJFG-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-morpholin-4-ylbutanoic 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-methoxy-2-methyl-2-morpholin-4-ylpropanoic acid
CID 62534902
4-methoxy-2,4-dimethyl-2-morpholin-4-ylpentanoic acid
CID 43803216
2,5-dimethyl-5-morpholin-4-ylheptan-4-one
CID 79065685
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
3-(4-ethylphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752467
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149
1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
CID 114854047
1-ethylsulfonyl-5-methyl-5-morpholin-4-ylheptan-4-one
CID 79065692
3-(4-hydroxyphenyl)-2-methyl-2-morpholin-4-ylpropanoic acid
CID 84752469
(2R)-2-[4-[(2R)-2-carboxybutan-2-yl]-1,3,4-oxadiazolidin-3-yl]-2-methylbutanoic acid
CID 101073962
2-(1,4-oxazepan-4-yl)-2-propylpentanoic acid
CID 114994067
2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylbutan-1-one
CID 15702405

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-ylbutanoic acid?
The IUPAC name of 2-methyl-2-morpholin-4-ylbutanoic acid (CID 43803225) is 2-methyl-2-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 2-methyl-2-morpholin-4-ylbutanoic acid?
The canonical SMILES for 2-methyl-2-morpholin-4-ylbutanoic acid is CCC(C)(C(=O)O)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-ylbutanoic acid?
The InChIKey is QTLLHCKRRLPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-9(2,8(11)12)10-4-6-13-7-5-10/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-2-morpholin-4-ylbutanoic acid?
2-methyl-2-morpholin-4-ylbutanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 43803225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).