2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid

C10H19NO4 — CID 61328408

IUPAC2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
SMILESCCCCCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-6-11(2)9(12)7-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyKARWNCJKHPRJIB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.74
Rot. Bonds8

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

2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 61328408) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
PubChem CID61328408
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
SMILESCCCCCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4/c1-3-4-5-6-11(2)9(12)7-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyKARWNCJKHPRJIB-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[heptyl(methyl)amino]-2-oxoethoxy]-N-[4-[[2-[2-[heptyl(methyl)amino]-2-oxoethoxy]acetyl]amino]butyl]acetamide
CID 546525
2-(hydroxymethoxymethoxymethoxy)-N-methyl-N-octadecylacetamide
CID 175684944
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
2-[2-(dipentylamino)-2-oxoethoxy]-N,N-dipentylacetamide
CID 102105691
N-heptyl-2-[3-[2-[heptyl(methyl)amino]-2-oxoethoxy]butan-2-yloxy]-N-methylacetamide
CID 604826
2-[2-(didodecylamino)-2-oxoethoxy]-N,N-didodecylacetamide
CID 71406470
N,N-didecyl-2-[2-(didecylamino)-2-oxoethoxy]acetamide
CID 71346769
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
2-[2-(dipropylamino)-2-oxoethoxy]-N-methyl-N-propylacetamide
CID 153278734
N-[3-(dimethylamino)propyl]-2-ethoxy-N-methylacetamide
CID 64591351
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733
N-methyl-N-octylheptacosanamide
CID 87394998

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid (CID 61328408) is 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid is CCCCCN(C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is KARWNCJKHPRJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-4-5-6-11(2)9(12)7-15-8-10(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61328408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).