2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid

C20H24N4O6 — CID 54257408

IUPAC2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1
InChIInChI=1S/C20H24N4O6/c1-2-23(11-18(25)26)9-14-5-3-7-16(21-14)17-8-4-6-15(22-17)10-24(12-19(27)28)13-20(29)30/h3-8H,2,9-13H2,1H3,(H,25,26)(H,27,28)(H,29,30)
InChIKeyRBBDNPKEGSGTGE-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.02
Rot. Bonds12

About 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid

2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid (PubChem CID 54257408) has the molecular formula C20H24N4O6 and a molecular weight of 416.43 g/mol. Its IUPAC name is 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
PubChem CID54257408
Molecular FormulaC20H24N4O6
Molecular Weight416.43 g/mol
Exact Mass416.17
IUPAC Name2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1
InChIInChI=1S/C20H24N4O6/c1-2-23(11-18(25)26)9-14-5-3-7-16(21-14)17-8-4-6-15(22-17)10-24(12-19(27)28)13-20(29)30/h3-8H,2,9-13H2,1H3,(H,25,26)(H,27,28)(H,29,30)
InChIKeyRBBDNPKEGSGTGE-UHFFFAOYSA-N
XLogP1.02
TPSA144.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid with MolForge

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Related Compounds

2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 14975255
2-[[6-[6-[6-(diethylaminomethyl)-4-(4-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-(4-methylphenyl)-2-pyridinyl]methyl-ethylamino]acetic acid
CID 58884397
2-[(6-carbamoyl-2-pyridinyl)methyl-(carboxymethyl)amino]acetic acid
CID 102443187
6-[6-[[butyl-[[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]methyl]amino]methyl]-2-pyridinyl]pyridine-2-carboxylic acid
CID 101270404
2-[ethyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]acetic acid
CID 54900006
2-[[6-[4-[4-[2-(4-aminophenyl)ethyl]phenyl]-6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 102352168
2-[[6-[4-amino-6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-5-nitro-2-pyridinyl]-2-pyridinyl]methyl-(carboxymethyl)amino]acetic acid
CID 102310676
6-[[butyl-[[6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101450118
2-[ethyl-[(2-ethyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 61012423
ethane;2-ethyl-6-(6-ethyl-2-pyridinyl)pyridine
CID 164534151
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid?
The IUPAC name of 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid (CID 54257408) is 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid?
The canonical SMILES for 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid is CCN(CC(=O)O)Cc1cccc(-c2cccc(CN(CC(=O)O)CC(=O)O)n2)n1.
What is the InChIKey of 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid?
The InChIKey is RBBDNPKEGSGTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O6/c1-2-23(11-18(25)26)9-14-5-3-7-16(21-14)17-8-4-6-15(22-17)10-24(12-19(27)28)13-20(29)30/h3-8H,2,9-13H2,1H3,(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid?
2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid has a molecular weight of 416.43 g/mol, XLogP of 1.02, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[6-[[bis(carboxymethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl-ethylamino]acetic acid is sourced from PubChem (CID 54257408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).