2-[methyl(oxane-4-carbonyl)amino]acetic acid

C9H15NO4 — CID 28778128

IUPAC2-[methyl(oxane-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCOCC1
InChIInChI=1S/C9H15NO4/c1-10(6-8(11)12)9(13)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12)
InChIKeyWKGLKKQUWDPHIV-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.04
Rot. Bonds3

About 2-[methyl(oxane-4-carbonyl)amino]acetic acid

2-[methyl(oxane-4-carbonyl)amino]acetic acid (PubChem CID 28778128) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[methyl(oxane-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(oxane-4-carbonyl)amino]acetic acid
PubChem CID28778128
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[methyl(oxane-4-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CCOCC1
InChIInChI=1S/C9H15NO4/c1-10(6-8(11)12)9(13)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12)
InChIKeyWKGLKKQUWDPHIV-UHFFFAOYSA-N
XLogP-0.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxane-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl(oxane-4-carbonyl)amino]acetic acid (CID 28778128) is 2-[methyl(oxane-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(oxane-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(oxane-4-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CCOCC1.
What is the InChIKey of 2-[methyl(oxane-4-carbonyl)amino]acetic acid?
The InChIKey is WKGLKKQUWDPHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-10(6-8(11)12)9(13)7-2-4-14-5-3-7/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 2-[methyl(oxane-4-carbonyl)amino]acetic acid?
2-[methyl(oxane-4-carbonyl)amino]acetic acid has a molecular weight of 201.22 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxane-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 28778128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).