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

C10H19NO4 — CID 61327306

IUPAC2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJBJICAASYVDZMY-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.59
Rot. Bonds7

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

2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61327306) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61327306
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(C)CCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyJBJICAASYVDZMY-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentyl)-2-(2-oxopropoxy)acetamide
CID 118260688
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
CID 104551501
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
CID 115164617
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
2-[2-[methyl(2-thiophen-2-ylethyl)amino]-2-oxoethoxy]acetic acid
CID 79476518

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (CID 61327306) is 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is CC(C)CCN(C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is JBJICAASYVDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61327306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).