2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid

C19H31N3O9 — CID 50943678

IUPAC2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H31N3O9/c1-18(2)7-13(23)8-19(3,4)22(18)31-17(30)12-21(11-16(28)29)6-5-20(9-14(24)25)10-15(26)27/h5-12H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyHGCWVRWPSLTSAF-UHFFFAOYSA-N
MW445.47 g/mol
LogP-0.48
Rot. Bonds12

About 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid

2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid (PubChem CID 50943678) has the molecular formula C19H31N3O9 and a molecular weight of 445.47 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid
PubChem CID50943678
Molecular FormulaC19H31N3O9
Molecular Weight445.47 g/mol
Exact Mass445.21
IUPAC Name2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid
SMILESCC1(C)CC(=O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIInChI=1S/C19H31N3O9/c1-18(2)7-13(23)8-19(3,4)22(18)31-17(30)12-21(11-16(28)29)6-5-20(9-14(24)25)10-15(26)27/h5-12H2,1-4H3,(H,24,25)(H,26,27)(H,28,29)
InChIKeyHGCWVRWPSLTSAF-UHFFFAOYSA-N
XLogP-0.48
TPSA164.99 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.47
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid with MolForge

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Related Compounds

2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;pentakis(1,2,2,6,6-pentamethylpiperidin-4-one)
CID 173026071
2-[carboxymethyl-[2-[2-[carboxymethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)oxy-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 50943130
tripotassium;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;bis(1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-one)
CID 173123427
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;2-[carboxymethyl-[2-[carboxymethyl-(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 87578927
2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]acetic acid
CID 19388423
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;platinum(4+)
CID 73213829
azane;2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;ruthenium
CID 173217392
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;yttrium(3+)
CID 23618997
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;chromium(2+)
CID 21278558
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
CID 131881711
CID 131881711
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;palladium
CID 87646403

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid (CID 50943678) is 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid is CC1(C)CC(=O)CC(C)(C)N1OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid?
The InChIKey is HGCWVRWPSLTSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O9/c1-18(2)7-13(23)8-19(3,4)22(18)31-17(30)12-21(11-16(28)29)6-5-20(9-14(24)25)10-15(26)27/h5-12H2,1-4H3,(H,24,25)(H,26,27)(H,28,29).
What are the key properties of 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid?
2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid has a molecular weight of 445.47 g/mol, XLogP of -0.48, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-[carboxymethyl-[2-oxo-2-(2,2,6,6-tetramethyl-4-oxopiperidin-1-yl)oxyethyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 50943678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).