5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid

C12H18N2O3 — CID 90958104

IUPAC5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
SMILESCCCN(CC)c1ccc(NO)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-3-7-14(4-2)9-5-6-11(13-17)10(8-9)12(15)16/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQRXKZHDMCKQESL-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.42
Rot. Bonds6

About 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid

5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid (PubChem CID 90958104) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid.

Molecular Properties

Compound Name5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
PubChem CID90958104
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid
SMILESCCCN(CC)c1ccc(NO)c(C(=O)O)c1
InChIInChI=1S/C12H18N2O3/c1-3-7-14(4-2)9-5-6-11(13-17)10(8-9)12(15)16/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyQRXKZHDMCKQESL-UHFFFAOYSA-N
XLogP2.42
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethenyl-4-[ethyl(propyl)amino]benzoic acid
CID 70518860
2-chloro-5-(diethylamino)benzoic acid
CID 79695041
2-[[4-[ethyl(propyl)amino]benzoyl]amino]benzoic acid
CID 126837218
4-[butyl(ethyl)amino]-2-chlorobenzoic acid
CID 62945912
4-[ethyl(2-hydroxyethyl)amino]-2-methylbenzoic acid
CID 112694436
4-[butyl(ethyl)amino]-2-(trifluoromethyl)benzoic acid
CID 62701815
3-[4-(diethylamino)-N-propylanilino]propanoic acid
CID 82317732
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
(2S)-2-[4-[ethyl(propyl)amino]anilino]propanoic acid
CID 70186094
2-chloro-4-(diethylamino)benzoic acid
CID 62945761
2-amino-4-[[2-(methylamino)-2-oxoethyl]-propylamino]benzoic acid
CID 104500433
4-(dioctylamino)phthalic acid
CID 20818058

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid?
The IUPAC name of 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid (CID 90958104) is 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid.
What is the SMILES notation for 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid?
The canonical SMILES for 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid is CCCN(CC)c1ccc(NO)c(C(=O)O)c1.
What is the InChIKey of 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid?
The InChIKey is QRXKZHDMCKQESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-7-14(4-2)9-5-6-11(13-17)10(8-9)12(15)16/h5-6,8,13,17H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid?
5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid has a molecular weight of 238.29 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(propyl)amino]-2-(hydroxyamino)benzoic acid is sourced from PubChem (CID 90958104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).