4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid

C14H17NO5 — CID 115411107

IUPAC4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2OCCC2C)c1
InChIInChI=1S/C14H17NO5/c1-8-5-6-20-12(8)13(16)15-11-7-9(19-2)3-4-10(11)14(17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNIPBHPDFXHGHNV-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.76
Rot. Bonds4

About 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid

4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid (PubChem CID 115411107) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
PubChem CID115411107
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCOc1ccc(C(=O)O)c(NC(=O)C2OCCC2C)c1
InChIInChI=1S/C14H17NO5/c1-8-5-6-20-12(8)13(16)15-11-7-9(19-2)3-4-10(11)14(17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyNIPBHPDFXHGHNV-UHFFFAOYSA-N
XLogP1.76
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 115410893
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
4-methoxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 103871126
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411168
4-methoxy-2-[[(2S)-piperidine-2-carbonyl]amino]benzoic acid
CID 104914466
2-[(1,1-dioxothiolane-3-carbonyl)amino]-4-methoxybenzoic acid
CID 115411151
2-(azepane-2-carbonylamino)-4-methoxybenzoic acid
CID 115411626
2-[(3-aminocyclohexanecarbonyl)amino]-4-methoxybenzoic acid
CID 115411606
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
4-methoxy-2-(methylamino)benzoic acid
CID 70479848

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The IUPAC name of 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid (CID 115411107) is 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid is COc1ccc(C(=O)O)c(NC(=O)C2OCCC2C)c1.
What is the InChIKey of 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The InChIKey is NIPBHPDFXHGHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8-5-6-20-12(8)13(16)15-11-7-9(19-2)3-4-10(11)14(17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 115411107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).