2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid

C12H22N2O4 — CID 79813878

IUPAC2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
SMILESCCC(N)(CC)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-12(13,4-2)11(17)14-5-6-18-9(8-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyQGUDZJVATXLMEX-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.21
Rot. Bonds5

About 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid

2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid (PubChem CID 79813878) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
PubChem CID79813878
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid
SMILESCCC(N)(CC)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C12H22N2O4/c1-3-12(13,4-2)11(17)14-5-6-18-9(8-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16)
InChIKeyQGUDZJVATXLMEX-UHFFFAOYSA-N
XLogP0.21
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
2-[4-[2-methyl-2-(2-methylphenyl)propanoyl]morpholin-2-yl]acetic acid
CID 119248442
2-[4-(4-carbamoylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66434819
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-(4-prop-2-enoylmorpholin-2-yl)acetic acid
CID 66419978
2-[4-(4-methylpiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66435209
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid (CID 79813878) is 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid is CCC(N)(CC)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid?
The InChIKey is QGUDZJVATXLMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-12(13,4-2)11(17)14-5-6-18-9(8-14)7-10(15)16/h9H,3-8,13H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid?
2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid has a molecular weight of 258.32 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-ethylbutanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 79813878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).