2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid

C13H24N2O4 — CID 113457970

IUPAC2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
SMILESCC(NC(=O)N1CCOCC1CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-8-10(15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyRBIPUANYEAVEOB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid

2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid (PubChem CID 113457970) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
PubChem CID113457970
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
SMILESCC(NC(=O)N1CCOCC1CC(=O)O)C(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-8-10(15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyRBIPUANYEAVEOB-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic 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

2-[4-(4-methylpent-1-yn-3-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 114202703
2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
3-[(3-ethylmorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 113416503
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
CID 114120332
2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
CID 114469359
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]morpholin-3-yl]acetic acid
CID 106917248
2,2-dimethyl-1-[(3S)-3-(2-oxopropyl)morpholin-4-yl]propan-1-one
CID 135302141
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid (CID 113457970) is 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid is CC(NC(=O)N1CCOCC1CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid?
The InChIKey is RBIPUANYEAVEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(13(2,3)4)14-12(18)15-5-6-19-8-10(15)7-11(16)17/h9-10H,5-8H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid?
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 113457970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).