3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride

C10H13ClN2O2 — CID 70240668

IUPAC3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C10H12N2O2.ClH/c11-12-9-4-3-7(10(13)14)5-8(9)6-1-2-6;/h3-6,12H,1-2,11H2,(H,13,14);1H
InChIKeyGDAYIUQACJQCGW-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.97
Rot. Bonds3

About 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride

3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride (PubChem CID 70240668) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride
PubChem CID70240668
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride
SMILESCl.NNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C10H12N2O2.ClH/c11-12-9-4-3-7(10(13)14)5-8(9)6-1-2-6;/h3-6,12H,1-2,11H2,(H,13,14);1H
InChIKeyGDAYIUQACJQCGW-UHFFFAOYSA-N
XLogP1.97
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-3-cyclopropylbenzoic acid
CID 167726350
3-cyclopropyl-4-(methylamino)benzoic acid
CID 176970275
4-[(4-cyclohexylbenzoyl)amino]-3-cyclopentylbenzoic acid
CID 174448388
(1S,8S)-tricyclo[6.2.1.02,7]undeca-2(7),3,5-triene-4-carboxylic acid
CID 124564050
2-cyclopentylterephthalic acid
CID 174865784
3-cyclohexyl-4-hydroxybenzoic acid
CID 19884474
3-cyclopropyl-1-benzothiophene-5-carboxylic acid
CID 84683832
1,4-dioxane;3-hydrazinyl-4-methylbenzoic acid;hydrochloride
CID 158138616
2-amino-3-cyclopropylquinoline-6-carboxylic acid
CID 171618620
3-amino-4-(cyclooctylamino)benzoic acid
CID 54887805
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride?
The IUPAC name of 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride (CID 70240668) is 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride.
What is the SMILES notation for 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride?
The canonical SMILES for 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride is Cl.NNc1ccc(C(=O)O)cc1C1CC1.
What is the InChIKey of 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride?
The InChIKey is GDAYIUQACJQCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2.ClH/c11-12-9-4-3-7(10(13)14)5-8(9)6-1-2-6;/h3-6,12H,1-2,11H2,(H,13,14);1H.
What are the key properties of 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride?
3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride has a molecular weight of 228.68 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-hydrazinylbenzoic acid;hydrochloride is sourced from PubChem (CID 70240668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).