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

C11H19NO6 — CID 22887890

IUPAC(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CN[C@@H](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)/t7-/m0/s1
InChIKeyWYJKSFYPCPXIMB-ZETCQYMHSA-N
MW261.27 g/mol
LogP0.24
Rot. Bonds7

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

(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid (PubChem CID 22887890) has the molecular formula C11H19NO6 and a molecular weight of 261.27 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
PubChem CID22887890
Molecular FormulaC11H19NO6
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name(2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid
SMILESCC(C)(C)OC(=O)CN[C@@H](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)/t7-/m0/s1
InChIKeyWYJKSFYPCPXIMB-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid (CID 22887890) is (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid is CC(C)(C)OC(=O)CN[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
The InChIKey is WYJKSFYPCPXIMB-ZETCQYMHSA-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)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid?
(2S)-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 (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pentanedioic acid is sourced from PubChem (CID 22887890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).