4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid

C13H26N2O5 — CID 156733974

IUPAC4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid
SMILESCC(CNC(=O)CCC(=O)O)OCC(C)(C)OCCN
InChIInChI=1S/C13H26N2O5/c1-10(8-15-11(16)4-5-12(17)18)19-9-13(2,3)20-7-6-14/h10H,4-9,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIXSUMDATLBKCDY-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.13
Rot. Bonds11

About 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid

4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid (PubChem CID 156733974) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid
PubChem CID156733974
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Name4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid
SMILESCC(CNC(=O)CCC(=O)O)OCC(C)(C)OCCN
InChIInChI=1S/C13H26N2O5/c1-10(8-15-11(16)4-5-12(17)18)19-9-13(2,3)20-7-6-14/h10H,4-9,14H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIXSUMDATLBKCDY-UHFFFAOYSA-N
XLogP0.13
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
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-aminoethoxy)propylcarbamic acid
CID 175060404
2-(2-aminoethoxy)-N-(2-ethoxypropyl)acetamide
CID 115739454
4-[(2-ethoxy-2-methylpropyl)amino]-4-oxobutanoic acid
CID 114940625
4-amino-N-(2-methoxypropyl)butanamide
CID 102694810
2-[2-[2-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]propylamino]-2-oxoethoxy]acetic acid
CID 123717759
3-[1-(2-aminoethoxy)ethoxy]propanoic acid
CID 140704240
tert-butyl 4-oxo-4-(2-prop-2-enoxypropylamino)butanoate
CID 114264028
4-[(3-ethoxy-3-methylbutyl)amino]-4-oxobutanoic acid
CID 121263526
3-[2-methyl-4-(4-propan-2-yloxybutan-2-yloxy)butan-2-yl]oxy-N-(2-methylpropyl)propanamide
CID 176948813
2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
3-amino-N-(2,2-dimethoxyethyl)propanamide
CID 61275461
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid (CID 156733974) is 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid is CC(CNC(=O)CCC(=O)O)OCC(C)(C)OCCN.
What is the InChIKey of 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid?
The InChIKey is IXSUMDATLBKCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-10(8-15-11(16)4-5-12(17)18)19-9-13(2,3)20-7-6-14/h10H,4-9,14H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid?
4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid has a molecular weight of 290.36 g/mol, XLogP of 0.13, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-aminoethoxy)-2-methylpropoxy]propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 156733974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).