2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid

C18H20N2O6 — CID 14389395

IUPAC2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)c1ccc2ccccc2c1)CC(=O)O
InChIInChI=1S/C18H20N2O6/c21-16(22)10-19(11-17(23)24)7-8-20(12-18(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9H,7-8,10-12H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyOIUWPPQABSALLB-UHFFFAOYSA-N
MW360.37 g/mol
LogP1.20
Rot. Bonds10

About 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid (PubChem CID 14389395) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid
PubChem CID14389395
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid
SMILESO=C(O)CN(CCN(CC(=O)O)c1ccc2ccccc2c1)CC(=O)O
InChIInChI=1S/C18H20N2O6/c21-16(22)10-19(11-17(23)24)7-8-20(12-18(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9H,7-8,10-12H2,(H,21,22)(H,23,24)(H,25,26)
InChIKeyOIUWPPQABSALLB-UHFFFAOYSA-N
XLogP1.20
TPSA118.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid (CID 14389395) is 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid is O=C(O)CN(CCN(CC(=O)O)c1ccc2ccccc2c1)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid?
The InChIKey is OIUWPPQABSALLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c21-16(22)10-19(11-17(23)24)7-8-20(12-18(25)26)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9H,7-8,10-12H2,(H,21,22)(H,23,24)(H,25,26).
What are the key properties of 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid has a molecular weight of 360.37 g/mol, XLogP of 1.20, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[carboxymethyl(naphthalen-2-yl)amino]ethyl]amino]acetic acid is sourced from PubChem (CID 14389395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).