2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid

C33H60N4O6 — CID 141061575

IUPAC2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid
SMILESCC1(C)CCCC(C)(C)N1C(C(=O)O)N(C(C(=O)O)N1C(C)(C)CCCC1(C)C)C(C(=O)O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C33H60N4O6/c1-28(2)16-13-17-29(3,4)35(28)22(25(38)39)34(23(26(40)41)36-30(5,6)18-14-19-31(36,7)8)24(27(42)43)37-32(9,10)20-15-21-33(37,11)12/h22-24H,13-21H2,1-12H3,(H,38,39)(H,40,41)(H,42,43)
InChIKeyKDHQJFCGOUFSRE-UHFFFAOYSA-N
MW608.87 g/mol
LogP5.65
Rot. Bonds9

About 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid

2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid (PubChem CID 141061575) has the molecular formula C33H60N4O6 and a molecular weight of 608.87 g/mol. Its IUPAC name is 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid
PubChem CID141061575
Molecular FormulaC33H60N4O6
Molecular Weight608.87 g/mol
Exact Mass608.45
IUPAC Name2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid
SMILESCC1(C)CCCC(C)(C)N1C(C(=O)O)N(C(C(=O)O)N1C(C)(C)CCCC1(C)C)C(C(=O)O)N1C(C)(C)CCCC1(C)C
InChIInChI=1S/C33H60N4O6/c1-28(2)16-13-17-29(3,4)35(28)22(25(38)39)34(23(26(40)41)36-30(5,6)18-14-19-31(36,7)8)24(27(42)43)37-32(9,10)20-15-21-33(37,11)12/h22-24H,13-21H2,1-12H3,(H,38,39)(H,40,41)(H,42,43)
InChIKeyKDHQJFCGOUFSRE-UHFFFAOYSA-N
XLogP5.65
TPSA124.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.87
LogP ≤ 55.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diol
CID 139091090
(2,2,6,6-tetramethylpiperidin-1-yl) hydrogen carbonate
CID 22150807
(2,2,6,6-tetramethylpiperidin-1-yl)carbamic acid
CID 90425190
2,2,7,7-tetramethyl-1-propan-2-ylazepane
CID 164739441
2,2,6,6-tetramethyl-N,N-di(propan-2-yl)piperidin-1-amine
CID 57218894
5-oxo-4-(2,2,6,6-tetramethylpiperidin-1-yl)-5-(2,2,6,6-tetramethylpiperidin-1-yl)oxypentanoic acid
CID 67842348
4-(2,2,6,6-tetramethylpiperidin-1-yl)octadecanoic acid
CID 135235524
(2,2,6,6-tetramethylpiperidin-1-yl) N,N-dimethylcarbamate
CID 10242897
1-hydroxy-2,2,6,6-tetramethylpiperidine;2-methylprop-2-enoic acid
CID 132889909
1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 549976
Tempo
CID 2724126
CID 66782891
CID 66782891

Frequently Asked Questions

What is the IUPAC name of 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid?
The IUPAC name of 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid (CID 141061575) is 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid.
What is the SMILES notation for 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid?
The canonical SMILES for 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid is CC1(C)CCCC(C)(C)N1C(C(=O)O)N(C(C(=O)O)N1C(C)(C)CCCC1(C)C)C(C(=O)O)N1C(C)(C)CCCC1(C)C.
What is the InChIKey of 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid?
The InChIKey is KDHQJFCGOUFSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O6/c1-28(2)16-13-17-29(3,4)35(28)22(25(38)39)34(23(26(40)41)36-30(5,6)18-14-19-31(36,7)8)24(27(42)43)37-32(9,10)20-15-21-33(37,11)12/h22-24H,13-21H2,1-12H3,(H,38,39)(H,40,41)(H,42,43).
What are the key properties of 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid?
2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid has a molecular weight of 608.87 g/mol, XLogP of 5.65, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis[carboxy-(2,2,6,6-tetramethylpiperidin-1-yl)methyl]amino]-2-(2,2,6,6-tetramethylpiperidin-1-yl)acetic acid is sourced from PubChem (CID 141061575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).