2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid

C15H29NO5 — CID 171795100

IUPAC2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid
SMILESCCCC(C)(C)OCCC(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C15H29NO5/c1-5-7-15(3,4)21-8-6-12(2)9-16-13(17)10-20-11-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyFSJQZWRZVMFUFU-UHFFFAOYSA-N
MW303.40 g/mol
LogP1.83
Rot. Bonds12

About 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 171795100) has the molecular formula C15H29NO5 and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid
PubChem CID171795100
Molecular FormulaC15H29NO5
Molecular Weight303.40 g/mol
Exact Mass303.20
IUPAC Name2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid
SMILESCCCC(C)(C)OCCC(C)CNC(=O)COCC(=O)O
InChIInChI=1S/C15H29NO5/c1-5-7-15(3,4)21-8-6-12(2)9-16-13(17)10-20-11-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyFSJQZWRZVMFUFU-UHFFFAOYSA-N
XLogP1.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-[3-(2-aminoethoxy)-3-methylbutoxy]-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 89044576
2-[2-[[2-(3-amino-3-methylbutoxy)-2-methylpropyl]amino]-2-oxoethoxy]acetic acid
CID 176675274
N-methyl-2-[2-(2-methylpentan-2-yloxy)ethoxy]acetamide
CID 166730060
2-[2-[[2-(dimethylamino)-3-methylbutyl]amino]-2-oxoethoxy]acetic acid
CID 61328234
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
2-(2-methyl-2-propoxypropoxy)acetic acid
CID 57089609
N-[2-(methylamino)propyl]-2-propoxyacetamide
CID 107938536
2-[2-(2-methylpentan-2-ylperoxy)-2-oxoethoxy]acetic acid
CID 154381228
4-methyl-4-(3-methylbutoxy)pentanoic acid
CID 89044410
N-(2-hydroxy-2-methylpentyl)-2-propoxyacetamide
CID 103713311
N-(4-amino-2-methylbutyl)-3-propoxypropanamide
CID 66089751
2-[2-oxo-2-(2,3,3-trimethylbutylcarbamoylamino)ethoxy]acetic acid
CID 83143403

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid (CID 171795100) is 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid is CCCC(C)(C)OCCC(C)CNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is FSJQZWRZVMFUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO5/c1-5-7-15(3,4)21-8-6-12(2)9-16-13(17)10-20-11-14(18)19/h12H,5-11H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 303.40 g/mol, XLogP of 1.83, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-methyl-4-(2-methylpentan-2-yloxy)butyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 171795100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).