2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid

C14H27NO4 — CID 61328647

IUPAC2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CCN(CCC(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C14H27NO4/c1-11(2)5-7-15(8-6-12(3)4)13(16)9-19-10-14(17)18/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyZGNGANYCPNFLNX-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.01
Rot. Bonds10

About 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid

2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328647) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328647
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CCN(CCC(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C14H27NO4/c1-11(2)5-7-15(8-6-12(3)4)13(16)9-19-10-14(17)18/h11-12H,5-10H2,1-4H3,(H,17,18)
InChIKeyZGNGANYCPNFLNX-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (CID 61328647) is 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is CC(C)CCN(CCC(C)C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is ZGNGANYCPNFLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-11(2)5-7-15(8-6-12(3)4)13(16)9-19-10-14(17)18/h11-12H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 273.37 g/mol, XLogP of 2.01, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).