2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid

C15H19NO4 — CID 81324454

IUPAC2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C15H19NO4/c1-10-3-6-12(7-4-10)16(9-14(17)18)15(19)13-8-5-11(2)20-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyUQCPLATWYQDDIN-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid

2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid (PubChem CID 81324454) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid.

Molecular Properties

Compound Name2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
PubChem CID81324454
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid
SMILESCc1ccc(N(CC(=O)O)C(=O)C2CCC(C)O2)cc1
InChIInChI=1S/C15H19NO4/c1-10-3-6-12(7-4-10)16(9-14(17)18)15(19)13-8-5-11(2)20-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,17,18)
InChIKeyUQCPLATWYQDDIN-UHFFFAOYSA-N
XLogP1.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(1,1-dioxothiolane-3-carbonyl)-4-methylanilino)acetic acid
CID 60830600
2-(4-methyl-N-(2-methylpiperidine-4-carbonyl)anilino)acetic acid
CID 106739630
2-[N-(cyclohex-3-ene-1-carbonyl)-4-methylanilino]acetic acid
CID 60832118
2-(4-methyl-N-[(2S)-piperidine-2-carbonyl]anilino)acetic acid
CID 104913597
2-(N-[cyclopropyl(ethyl)carbamoyl]-4-methylanilino)acetic acid
CID 61194123
2-(4-methyl-N-[2-(oxolan-2-yl)acetyl]anilino)acetic acid
CID 65157371
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-[2-methoxyethyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 81324118
2-[N-(cyclopentylmethylcarbamoyl)-4-methylanilino]acetic acid
CID 61198585
2-[N-(diethylcarbamoyl)-4-methylanilino]acetic acid
CID 61186783
2-(N-(2,2-difluoroacetyl)-4-methylanilino)acetic acid
CID 103513169
2-(N-cyclobutyl-4-methylanilino)acetic acid
CID 65059457

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid?
The IUPAC name of 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid (CID 81324454) is 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid.
What is the SMILES notation for 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid?
The canonical SMILES for 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid is Cc1ccc(N(CC(=O)O)C(=O)C2CCC(C)O2)cc1.
What is the InChIKey of 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid?
The InChIKey is UQCPLATWYQDDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-6-12(7-4-10)16(9-14(17)18)15(19)13-8-5-11(2)20-13/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid?
2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid has a molecular weight of 277.32 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-(5-methyloxolane-2-carbonyl)anilino)acetic acid is sourced from PubChem (CID 81324454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).