5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid

C14H18N2O5 — CID 115413552

IUPAC5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCC2CCC(C(=O)O)O2)c(N)c1
InChIInChI=1S/C14H18N2O5/c1-20-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(21-9)14(18)19/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLKQOCSIVJUYADQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.64
Rot. Bonds5

About 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 115413552) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID115413552
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCOc1ccc(C(=O)NCC2CCC(C(=O)O)O2)c(N)c1
InChIInChI=1S/C14H18N2O5/c1-20-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(21-9)14(18)19/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLKQOCSIVJUYADQ-UHFFFAOYSA-N
XLogP0.64
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[(4-bromo-2-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid
CID 115368693
2-amino-N-[(4-ethylcyclohexyl)methyl]-4-methoxybenzamide
CID 115412843
2-amino-N-[[2-(hydroxymethyl)cyclohexyl]methyl]-4-methoxybenzamide
CID 115413437
2-amino-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-4-methoxybenzamide
CID 115413436
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
5-[[(2-aminobenzoyl)amino]methyl]oxolane-2-carboxamide
CID 119946036
2-amino-N-(2-cyclopropylpropyl)-4-methoxybenzamide
CID 113475265
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
5-[[(2,5-dibromothiophene-3-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 107949352
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
2-[[(2-amino-5-methoxybenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115413435

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid (CID 115413552) is 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid is COc1ccc(C(=O)NCC2CCC(C(=O)O)O2)c(N)c1.
What is the InChIKey of 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is LKQOCSIVJUYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-8-2-4-10(11(15)6-8)13(17)16-7-9-3-5-12(21-9)14(18)19/h2,4,6,9,12H,3,5,7,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-amino-4-methoxybenzoyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 115413552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).