2-anilinoacetic acid;2,5-diaminopentanoic acid

C13H21N3O4 — CID 90018517

IUPAC2-anilinoacetic acid;2,5-diaminopentanoic acid
SMILESNCCCC(N)C(=O)O.O=C(O)CNc1ccccc1
InChIInChI=1S/C8H9NO2.C5H12N2O2/c10-8(11)6-9-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5,9H,6H2,(H,10,11);4H,1-3,6-7H2,(H,8,9)
InChIKeyAFZQZKCNPAKXSL-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.32
Rot. Bonds7

About 2-anilinoacetic acid;2,5-diaminopentanoic acid

2-anilinoacetic acid;2,5-diaminopentanoic acid (PubChem CID 90018517) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-anilinoacetic acid;2,5-diaminopentanoic acid.

Molecular Properties

Compound Name2-anilinoacetic acid;2,5-diaminopentanoic acid
PubChem CID90018517
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-anilinoacetic acid;2,5-diaminopentanoic acid
SMILESNCCCC(N)C(=O)O.O=C(O)CNc1ccccc1
InChIInChI=1S/C8H9NO2.C5H12N2O2/c10-8(11)6-9-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5,9H,6H2,(H,10,11);4H,1-3,6-7H2,(H,8,9)
InChIKeyAFZQZKCNPAKXSL-UHFFFAOYSA-N
XLogP0.32
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-anilinoacetic acid;2,5-diaminopentanoic 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

bis(2,5-diaminopentanoic acid);trihydrochloride
CID 175233947
butane-1,4-diamine;(2S)-2,5-diaminopentanoic acid
CID 87187240
zinc 2,5-diaminopentanoic acid
CID 56838280
cerium;(2R)-2,5-diaminopentanoic acid
CID 175036694
2-[(4-chlorobenzoyl)amino]acetic acid;(2S)-2,5-diaminopentanoic acid
CID 22807398
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
(2S)-2,5-diaminopentanoic acid;methanol
CID 87528483
carbamic acid;2,5-diaminopentanoic acid
CID 22153959
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
2-amino-6-(15N)azanylhexanoic acid;dihydrochloride
CID 45157533
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084

Frequently Asked Questions

What is the IUPAC name of 2-anilinoacetic acid;2,5-diaminopentanoic acid?
The IUPAC name of 2-anilinoacetic acid;2,5-diaminopentanoic acid (CID 90018517) is 2-anilinoacetic acid;2,5-diaminopentanoic acid.
What is the SMILES notation for 2-anilinoacetic acid;2,5-diaminopentanoic acid?
The canonical SMILES for 2-anilinoacetic acid;2,5-diaminopentanoic acid is NCCCC(N)C(=O)O.O=C(O)CNc1ccccc1.
What is the InChIKey of 2-anilinoacetic acid;2,5-diaminopentanoic acid?
The InChIKey is AFZQZKCNPAKXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C5H12N2O2/c10-8(11)6-9-7-4-2-1-3-5-7;6-3-1-2-4(7)5(8)9/h1-5,9H,6H2,(H,10,11);4H,1-3,6-7H2,(H,8,9).
What are the key properties of 2-anilinoacetic acid;2,5-diaminopentanoic acid?
2-anilinoacetic acid;2,5-diaminopentanoic acid has a molecular weight of 283.33 g/mol, XLogP of 0.32, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoacetic acid;2,5-diaminopentanoic acid is sourced from PubChem (CID 90018517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).