4-amino-3-(carboxymethoxy)benzoic acid

C9H9NO5 — CID 11310358

IUPAC4-amino-3-(carboxymethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCC(=O)O
InChIInChI=1S/C9H9NO5/c10-6-2-1-5(9(13)14)3-7(6)15-4-8(11)12/h1-3H,4,10H2,(H,11,12)(H,13,14)
InChIKeyPHUNNNRZPLEVKT-UHFFFAOYSA-N
MW211.17 g/mol
LogP0.43
Rot. Bonds4

About 4-amino-3-(carboxymethoxy)benzoic acid

4-amino-3-(carboxymethoxy)benzoic acid (PubChem CID 11310358) has the molecular formula C9H9NO5 and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-amino-3-(carboxymethoxy)benzoic acid.

Molecular Properties

Compound Name4-amino-3-(carboxymethoxy)benzoic acid
PubChem CID11310358
Molecular FormulaC9H9NO5
Molecular Weight211.17 g/mol
Exact Mass211.05
IUPAC Name4-amino-3-(carboxymethoxy)benzoic acid
SMILESNc1ccc(C(=O)O)cc1OCC(=O)O
InChIInChI=1S/C9H9NO5/c10-6-2-1-5(9(13)14)3-7(6)15-4-8(11)12/h1-3H,4,10H2,(H,11,12)(H,13,14)
InChIKeyPHUNNNRZPLEVKT-UHFFFAOYSA-N
XLogP0.43
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-hydroxyethoxy)benzoic acid
CID 43379927
4-amino-3-(2-carboxy-2-methylpropoxy)benzoic acid
CID 79621403
4-amino-3-(3-amino-3-oxopropoxy)benzoic acid
CID 43379838
4-amino-3-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 61489341
4-amino-3-[2-(butan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 43379904
4-amino-3-methoxybenzoic acid;ethane
CID 91282219
4-amino-3-(4,4-dimethylpentoxy)benzoic acid
CID 114209628
2-[2-amino-5-(methylaminomethyl)phenoxy]acetic acid
CID 88996156
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
4-amino-3-(2-pyrrolidin-1-ylethoxy)benzoic acid
CID 82796589
3-amino-4-(2-methylprop-2-enoxy)benzoic acid
CID 82057319
4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
CID 43379865

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(carboxymethoxy)benzoic acid?
The IUPAC name of 4-amino-3-(carboxymethoxy)benzoic acid (CID 11310358) is 4-amino-3-(carboxymethoxy)benzoic acid.
What is the SMILES notation for 4-amino-3-(carboxymethoxy)benzoic acid?
The canonical SMILES for 4-amino-3-(carboxymethoxy)benzoic acid is Nc1ccc(C(=O)O)cc1OCC(=O)O.
What is the InChIKey of 4-amino-3-(carboxymethoxy)benzoic acid?
The InChIKey is PHUNNNRZPLEVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO5/c10-6-2-1-5(9(13)14)3-7(6)15-4-8(11)12/h1-3H,4,10H2,(H,11,12)(H,13,14).
What are the key properties of 4-amino-3-(carboxymethoxy)benzoic acid?
4-amino-3-(carboxymethoxy)benzoic acid has a molecular weight of 211.17 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(carboxymethoxy)benzoic acid is sourced from PubChem (CID 11310358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).