2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid

C14H25NO4 — CID 120687874

IUPAC2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
SMILESCC(C)CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-10(2)8-14(3,4)13(18)15-5-6-19-11(9-15)7-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyDFKZOZJTUJISDJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.76
Rot. Bonds5

About 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid

2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid (PubChem CID 120687874) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
PubChem CID120687874
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
SMILESCC(C)CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-10(2)8-14(3,4)13(18)15-5-6-19-11(9-15)7-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyDFKZOZJTUJISDJ-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-(2,2-dimethylbutanoyl)morpholin-2-yl]acetic acid
CID 124515405
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
CID 79813878
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 104829302
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-(3-methylbutylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435211
2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-(2-methyl-3-methylsulfanylpropanoyl)morpholin-2-yl]acetic acid
CID 119248244

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid (CID 120687874) is 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid is CC(C)CC(C)(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid?
The InChIKey is DFKZOZJTUJISDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)8-14(3,4)13(18)15-5-6-19-11(9-15)7-12(16)17/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid?
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid has a molecular weight of 271.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 120687874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).