2-anilinoacetic acid;pentylhydrazine

C13H23N3O2 — CID 174942831

IUPAC2-anilinoacetic acid;pentylhydrazine
SMILESCCCCCNN.O=C(O)CNc1ccccc1
InChIInChI=1S/C8H9NO2.C5H14N2/c10-8(11)6-9-7-4-2-1-3-5-7;1-2-3-4-5-7-6/h1-5,9H,6H2,(H,10,11);7H,2-6H2,1H3
InChIKeyAHQHMYOOELJSPN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.82
Rot. Bonds7

About 2-anilinoacetic acid;pentylhydrazine

2-anilinoacetic acid;pentylhydrazine (PubChem CID 174942831) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-anilinoacetic acid;pentylhydrazine.

Molecular Properties

Compound Name2-anilinoacetic acid;pentylhydrazine
PubChem CID174942831
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-anilinoacetic acid;pentylhydrazine
SMILESCCCCCNN.O=C(O)CNc1ccccc1
InChIInChI=1S/C8H9NO2.C5H14N2/c10-8(11)6-9-7-4-2-1-3-5-7;1-2-3-4-5-7-6/h1-5,9H,6H2,(H,10,11);7H,2-6H2,1H3
InChIKeyAHQHMYOOELJSPN-UHFFFAOYSA-N
XLogP1.82
TPSA87.38 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilinoacetic acid;hydrazine
CID 67393863
heptyl 2-anilinoacetate
CID 61302862
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
N-nonadecylaniline
CID 54509054
N-heptylaniline;hydrate
CID 174886464
2-anilinoacetic acid;formic acid
CID 174518720
2-(4-pentoxyanilino)acetic acid
CID 15310380
octyl 3-anilinopropanoate
CID 63541566
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
benzene-1,2,4,5-tetracarboxylic acid;butylhydrazine
CID 173409428
1-anilinooctan-4-one
CID 10680405
heptylhydrazine;trihydrochloride
CID 173153281

Frequently Asked Questions

What is the IUPAC name of 2-anilinoacetic acid;pentylhydrazine?
The IUPAC name of 2-anilinoacetic acid;pentylhydrazine (CID 174942831) is 2-anilinoacetic acid;pentylhydrazine.
What is the SMILES notation for 2-anilinoacetic acid;pentylhydrazine?
The canonical SMILES for 2-anilinoacetic acid;pentylhydrazine is CCCCCNN.O=C(O)CNc1ccccc1.
What is the InChIKey of 2-anilinoacetic acid;pentylhydrazine?
The InChIKey is AHQHMYOOELJSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C5H14N2/c10-8(11)6-9-7-4-2-1-3-5-7;1-2-3-4-5-7-6/h1-5,9H,6H2,(H,10,11);7H,2-6H2,1H3.
What are the key properties of 2-anilinoacetic acid;pentylhydrazine?
2-anilinoacetic acid;pentylhydrazine has a molecular weight of 253.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoacetic acid;pentylhydrazine is sourced from PubChem (CID 174942831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).