4-amino-3-methoxybenzoic acid;ethane

C10H15NO3 — CID 91282219

IUPAC4-amino-3-methoxybenzoic acid;ethane
SMILESCC.COc1cc(C(=O)O)ccc1N
InChIInChI=1S/C8H9NO3.C2H6/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3
InChIKeyIDFFTBBIJFSJFU-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.00
Rot. Bonds2

About 4-amino-3-methoxybenzoic acid;ethane

4-amino-3-methoxybenzoic acid;ethane (PubChem CID 91282219) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-amino-3-methoxybenzoic acid;ethane.

Molecular Properties

Compound Name4-amino-3-methoxybenzoic acid;ethane
PubChem CID91282219
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-amino-3-methoxybenzoic acid;ethane
SMILESCC.COc1cc(C(=O)O)ccc1N
InChIInChI=1S/C8H9NO3.C2H6/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3
InChIKeyIDFFTBBIJFSJFU-UHFFFAOYSA-N
XLogP2.00
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-amino-3-methoxybenzoate
CID 602411
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-amino-3-(2-methoxyphenyl)benzoic acid
CID 82293590
4-amino-3-(carboxymethoxy)benzoic acid
CID 11310358
4-[amino(carboxy)methyl]-3-methoxybenzoic acid
CID 54421140
2,2-dimethylpropanoyl 4-amino-3-methoxybenzenecarboperoxoate
CID 175587267
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
3-amino-4-methoxybenzoic acid;3,4-dimethoxyaniline
CID 158690022
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
hexadecyl 4-amino-3-methoxybenzoate
CID 154161759

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxybenzoic acid;ethane?
The IUPAC name of 4-amino-3-methoxybenzoic acid;ethane (CID 91282219) is 4-amino-3-methoxybenzoic acid;ethane.
What is the SMILES notation for 4-amino-3-methoxybenzoic acid;ethane?
The canonical SMILES for 4-amino-3-methoxybenzoic acid;ethane is CC.COc1cc(C(=O)O)ccc1N.
What is the InChIKey of 4-amino-3-methoxybenzoic acid;ethane?
The InChIKey is IDFFTBBIJFSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.C2H6/c1-12-7-4-5(8(10)11)2-3-6(7)9;1-2/h2-4H,9H2,1H3,(H,10,11);1-2H3.
What are the key properties of 4-amino-3-methoxybenzoic acid;ethane?
4-amino-3-methoxybenzoic acid;ethane has a molecular weight of 197.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxybenzoic acid;ethane is sourced from PubChem (CID 91282219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).