2-formyloxy-4-(methylamino)benzoic acid

C9H9NO4 — CID 174486890

IUPAC2-formyloxy-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)c(OC=O)c1
InChIInChI=1S/C9H9NO4/c1-10-6-2-3-7(9(12)13)8(4-6)14-5-11/h2-5,10H,1H3,(H,12,13)
InChIKeyYLEFCCOQMGKFKF-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.96
Rot. Bonds4

About 2-formyloxy-4-(methylamino)benzoic acid

2-formyloxy-4-(methylamino)benzoic acid (PubChem CID 174486890) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2-formyloxy-4-(methylamino)benzoic acid.

Molecular Properties

Compound Name2-formyloxy-4-(methylamino)benzoic acid
PubChem CID174486890
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2-formyloxy-4-(methylamino)benzoic acid
SMILESCNc1ccc(C(=O)O)c(OC=O)c1
InChIInChI=1S/C9H9NO4/c1-10-6-2-3-7(9(12)13)8(4-6)14-5-11/h2-5,10H,1H3,(H,12,13)
InChIKeyYLEFCCOQMGKFKF-UHFFFAOYSA-N
XLogP0.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-acetyl-4-formyloxybenzoyl)-2-[[4-[4-(methylamino)phenoxy]phenyl]carbamoyl]benzoic acid
CID 166007053
4-(methylamino)-2-[3-[(2,2,2-trifluoroacetyl)amino]propoxy]benzoic acid
CID 87387539
2-iodo-5-(methylamino)benzoic acid
CID 131508198
4-chloro-2-(5-chloro-2-formyloxyphenyl)benzoic acid
CID 58253927
4-(carbamoylamino)-2-methoxybenzoic acid
CID 107208856
[5-(ethylamino)-2-(methylamino)phenyl] formate
CID 143766620
[2-hydroxy-5-(methylamino)phenyl] hydrogen sulfate
CID 70399489
5-[(4-amino-3-formyloxyphenyl)methyl]-2-methylbenzoic acid
CID 157363776
2-(9H-fluoren-9-ylmethoxycarbonyl)-4-(methylamino)benzoic acid
CID 56923983
5-(methylamino)-2-(methyldiazenyl)benzoic acid
CID 20589181
3-methoxy-N-methyl-4-prop-1-en-2-ylaniline
CID 143147515
[2-hydroxy-5-(methylamino)benzoyl] 2-[2-hydroxy-5-(methylamino)benzoyl]oxy-4-(methylamino)benzoate
CID 87694728

Frequently Asked Questions

What is the IUPAC name of 2-formyloxy-4-(methylamino)benzoic acid?
The IUPAC name of 2-formyloxy-4-(methylamino)benzoic acid (CID 174486890) is 2-formyloxy-4-(methylamino)benzoic acid.
What is the SMILES notation for 2-formyloxy-4-(methylamino)benzoic acid?
The canonical SMILES for 2-formyloxy-4-(methylamino)benzoic acid is CNc1ccc(C(=O)O)c(OC=O)c1.
What is the InChIKey of 2-formyloxy-4-(methylamino)benzoic acid?
The InChIKey is YLEFCCOQMGKFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c1-10-6-2-3-7(9(12)13)8(4-6)14-5-11/h2-5,10H,1H3,(H,12,13).
What are the key properties of 2-formyloxy-4-(methylamino)benzoic acid?
2-formyloxy-4-(methylamino)benzoic acid has a molecular weight of 195.17 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyloxy-4-(methylamino)benzoic acid is sourced from PubChem (CID 174486890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).