2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid

C14H19NO4 — CID 82838074

IUPAC2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
SMILESCOc1cccc(NC(C(=O)O)C2CCC(C)O2)c1
InChIInChI=1S/C14H19NO4/c1-9-6-7-12(19-9)13(14(16)17)15-10-4-3-5-11(8-10)18-2/h3-5,8-9,12-13,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQGFGZIZEVWYAET-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.13
Rot. Bonds5

About 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid

2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid (PubChem CID 82838074) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
PubChem CID82838074
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid
SMILESCOc1cccc(NC(C(=O)O)C2CCC(C)O2)c1
InChIInChI=1S/C14H19NO4/c1-9-6-7-12(19-9)13(14(16)17)15-10-4-3-5-11(8-10)18-2/h3-5,8-9,12-13,15H,6-7H2,1-2H3,(H,16,17)
InChIKeyQGFGZIZEVWYAET-UHFFFAOYSA-N
XLogP2.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82840137
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetonitrile
CID 82838217
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
methyl 2-(3-chloroanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837161
methyl 2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetate
CID 82837834
2-(3-bromoanilino)-2-(5-methyloxolan-2-yl)acetamide
CID 82837995
2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(3-methoxyanilino)acetic acid
CID 103277302
2-(3-methoxyanilino)-2-(oxolan-2-yl)acetamide
CID 82838220
N-cyclopropyl-2-(3-methoxyanilino)propanamide
CID 43085846
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
2-(3-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115840738
N-(1-cyclopropylethyl)-3-methoxyaniline
CID 43196364

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid?
The IUPAC name of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid (CID 82838074) is 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid.
What is the SMILES notation for 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid?
The canonical SMILES for 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid is COc1cccc(NC(C(=O)O)C2CCC(C)O2)c1.
What is the InChIKey of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid?
The InChIKey is QGFGZIZEVWYAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-6-7-12(19-9)13(14(16)17)15-10-4-3-5-11(8-10)18-2/h3-5,8-9,12-13,15H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid?
2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid has a molecular weight of 265.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyanilino)-2-(5-methyloxolan-2-yl)acetic acid is sourced from PubChem (CID 82838074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).