2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid

C15H19NO4 — CID 65157371

IUPAC2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)CC2CCCO2)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)16(10-15(18)19)14(17)9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyCCBXUQPVKPUZQJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds5

About 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid

2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid (PubChem CID 65157371) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid
PubChem CID65157371
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)CC2CCCO2)cc1
InChIInChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)16(10-15(18)19)14(17)9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,19)
InChIKeyCCBXUQPVKPUZQJ-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(2-cyclohexylacetyl)-4-hydroxyanilino)acetic acid
CID 60830957
2-(4-chloro-N-(2-cyclopentylacetyl)anilino)acetic acid
CID 60826489
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-[4-methyl-N-(oxepan-4-yl)anilino]acetic acid
CID 65080724
2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
CID 81324454
N-methyl-2-(oxolan-2-yl)-N-(4-sulfamoylphenyl)acetamide
CID 65159263
N-(2-aminophenyl)-N-ethyl-2-(oxolan-2-yl)acetamide
CID 65157069
N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3206947
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
2-[4-chloro-N-[2-(oxolan-2-yl)ethyl]anilino]acetic acid
CID 65161722
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid (CID 65157371) is 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)CC2CCCO2)cc1.
What is the InChIKey of 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid?
The InChIKey is CCBXUQPVKPUZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-11-4-6-12(7-5-11)16(10-15(18)19)14(17)9-13-3-2-8-20-13/h4-7,13H,2-3,8-10H2,1H3,(H,18,19).
What are the key properties of 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid?
2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid is sourced from PubChem (CID 65157371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).