2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid

C11H21NO4 — CID 79477429

IUPAC2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(C)CN(CC)C(=O)COCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-9(3)6-12(5-2)10(13)7-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyDSRMUZAUXQSWOW-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.98
Rot. Bonds8

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

2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 79477429) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID79477429
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(C)CN(CC)C(=O)COCC(=O)O
InChIInChI=1S/C11H21NO4/c1-4-9(3)6-12(5-2)10(13)7-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15)
InChIKeyDSRMUZAUXQSWOW-UHFFFAOYSA-N
XLogP0.98
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
N-(3-amino-2-methylpropyl)-N-ethyl-2-propoxyacetamide
CID 107937276
2-[2-[3-(dimethylamino)propyl-ethylamino]-2-oxoethoxy]acetic acid
CID 102991712
2-ethoxy-N-methyl-N-(2-methylbutyl)acetamide
CID 63940982
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
2-(2-aminoethoxy)-N-ethyl-N-(2-methylpropyl)acetamide
CID 79473023
2-[2-[[ethyl(2-ethylbutyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
CID 61437723
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
2-[[ethyl(2-methylbutyl)carbamoyl]-methylamino]acetic acid
CID 79470163
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid (CID 79477429) is 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid is CCC(C)CN(CC)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is DSRMUZAUXQSWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-4-9(3)6-12(5-2)10(13)7-16-8-11(14)15/h9H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 231.29 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79477429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).