2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid

C11H19NO6 — CID 18411425

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-9(15)6-12-7(10(16)17)4-5-8(13)14/h7,12H,4-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyWYJKSFYPCPXIMB-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.24
Rot. Bonds7

About 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid

2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid (PubChem CID 18411425) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
PubChem CID18411425
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CNC(CCC(=O)O)C(=O)O
InChIInChI=1S/C11H19NO6/c1-11(2,3)18-9(15)6-12-7(10(16)17)4-5-8(13)14/h7,12H,4-6H2,1-3H3,(H,13,14)(H,16,17)
InChIKeyWYJKSFYPCPXIMB-UHFFFAOYSA-N
XLogP0.24
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-L-glutamic acid
CID 439377
N-methylglutamic acid
CID 268779
(2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 2724758
2-{[(Tert-butoxy)carbonyl]amino}pentanedioic acid
CID 433622
(2S)-2-amino-5-(tert-butoxy)-5-oxopentanoic acid
CID 7010573
(S)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid
CID 7018756
(2S)-5-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 6993432
Boc-D-Glu-OMe
CID 7018752
(2R)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid
CID 7019046
1-(1,1-Dimethylethyl) hydrogen L-glutamate
CID 117505
(4S)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 6993444
(4R)-5-(tert-butoxy)-4-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoic acid
CID 7018746

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid (CID 18411425) is 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid is CC(C)(C)OC(=O)CNC(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The InChIKey is WYJKSFYPCPXIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6/c1-11(2,3)18-9(15)6-12-7(10(16)17)4-5-8(13)14/h7,12H,4-6H2,1-3H3,(H,13,14)(H,16,17).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid has a molecular weight of 261.27 g/mol, XLogP of 0.24, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid is sourced from PubChem (CID 18411425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).