2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid

C9H15NO4 — CID 73052642

IUPAC2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid
SMILESCON(C)C(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-10(14-2)7(11)5-9(3-4-9)6-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyVKAHNTPQQJXBES-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.65
Rot. Bonds5

About 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid

2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid (PubChem CID 73052642) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid
PubChem CID73052642
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid
SMILESCON(C)C(=O)CC1(CC(=O)O)CC1
InChIInChI=1S/C9H15NO4/c1-10(14-2)7(11)5-9(3-4-9)6-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyVKAHNTPQQJXBES-UHFFFAOYSA-N
XLogP0.65
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid?
The IUPAC name of 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid (CID 73052642) is 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid is CON(C)C(=O)CC1(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid?
The InChIKey is VKAHNTPQQJXBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-10(14-2)7(11)5-9(3-4-9)6-8(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid?
2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid has a molecular weight of 201.22 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methoxy(methyl)amino]-2-oxoethyl]cyclopropyl]acetic acid is sourced from PubChem (CID 73052642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).