2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

C13H26N2O5 — CID 176675274

IUPAC2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(N)CCOC(C)(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C13H26N2O5/c1-12(2,14)5-6-20-13(3,4)9-15-10(16)7-19-8-11(17)18/h5-9,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyJOUWJPSKGJFBHU-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.13
Rot. Bonds10

About 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 176675274) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
PubChem CID176675274
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
SMILESCC(C)(N)CCOC(C)(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C13H26N2O5/c1-12(2,14)5-6-20-13(3,4)9-15-10(16)7-19-8-11(17)18/h5-9,14H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyJOUWJPSKGJFBHU-UHFFFAOYSA-N
XLogP0.13
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
N-[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]-2-(2-nitroso-2-oxoethoxy)acetamide
CID 134259952
2-[2-[(2-methyl-2-methylsulfonylpropyl)amino]-2-oxoethoxy]acetic acid
CID 79558619
2-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethoxy]acetic acid
CID 106244362
N-(2-amino-2-methylpropyl)-2-(2-ethoxyethoxy)acetamide
CID 119626722
2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid
CID 171795100
2-(3-amino-3-methylbutoxy)-N-[3-(2,2-dimethyl-3-oxobutoxy)-2,2-dimethylpropyl]acetamide
CID 155444678
2-[3-(2-amino-2-methylpropoxy)-3-methylbutoxy]acetic acid
CID 160561756
4-(3-amino-3-methylbutoxy)-N-(4-hydroxy-2-methylbutan-2-yl)-4-methylpentanamide;2,2-dimethylpropane
CID 155698441
2-[2-[3-(3-methoxy-3-methylbutoxy)-3-methylbutoxy]-2-oxoethoxy]acetic acid
CID 89073210
N-(2-amino-2-methylpropyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807475
2-(3-amino-3-methyl-2-oxobutoxy)-N-[2-[2-methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-yl]oxyethyl]acetamide
CID 143771811

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid (CID 176675274) is 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is CC(C)(N)CCOC(C)(C)CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is JOUWJPSKGJFBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-12(2,14)5-6-20-13(3,4)9-15-10(16)7-19-8-11(17)18/h5-9,14H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 290.36 g/mol, XLogP of 0.13, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 176675274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).