acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid

C16H19N3O4 — CID 162118901

IUPACacetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
SMILESCC(=O)O.O=C(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H15N3O2.C2H4O2/c18-14(19)11-17(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13;1-2(3)4/h1-8H,9-11H2,(H,18,19);1H3,(H,3,4)
InChIKeyZHDKFPJATZAROV-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.65
Rot. Bonds6

About acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid

acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 162118901) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID162118901
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Nameacetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
SMILESCC(=O)O.O=C(O)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C14H15N3O2.C2H4O2/c18-14(19)11-17(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13;1-2(3)4/h1-8H,9-11H2,(H,18,19);1H3,(H,3,4)
InChIKeyZHDKFPJATZAROV-UHFFFAOYSA-N
XLogP1.65
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic 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

azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
CID 10344552
2-[(4,5-dimethylthiophen-3-yl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 166268238
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 91238369
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
acetic acid;2-ethylpyridine
CID 70072313
(NE)-N-[1-[[(2E)-2-hydroxyiminopropyl]-(pyridin-2-ylmethyl)amino]propan-2-ylidene]hydroxylamine
CID 59821034
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
CID 59550352

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid (CID 162118901) is acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid is CC(=O)O.O=C(O)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is ZHDKFPJATZAROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2.C2H4O2/c18-14(19)11-17(9-12-5-1-3-7-15-12)10-13-6-2-4-8-16-13;1-2(3)4/h1-8H,9-11H2,(H,18,19);1H3,(H,3,4).
What are the key properties of acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid?
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 317.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 162118901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).