2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid

C8H15NO5 — CID 104551501

IUPAC2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(CO)N(C)C(=O)COCC(=O)O
InChIInChI=1S/C8H15NO5/c1-6(3-10)9(2)7(11)4-14-5-8(12)13/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeySOBHFLNQOKUFFX-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.07
Rot. Bonds6

About 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid

2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 104551501) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
PubChem CID104551501
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid
SMILESCC(CO)N(C)C(=O)COCC(=O)O
InChIInChI=1S/C8H15NO5/c1-6(3-10)9(2)7(11)4-14-5-8(12)13/h6,10H,3-5H2,1-2H3,(H,12,13)
InChIKeySOBHFLNQOKUFFX-UHFFFAOYSA-N
XLogP-1.07
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-2-(2-methoxyethoxy)-N-methylacetamide
CID 115765010
N-(1-hydroxypropan-2-yl)-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115968619
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
N-(1-hydroxypropan-2-yl)-N-methyl-3-oxobutanamide
CID 104551888
2-[2-[ethyl(2-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 79477429
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
2-ethoxyacetic acid
CID 159744705
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
2-[2-[2-hydroxyethyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 54993846
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
CID 115538733

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid (CID 104551501) is 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid is CC(CO)N(C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is SOBHFLNQOKUFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-6(3-10)9(2)7(11)4-14-5-8(12)13/h6,10H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid?
2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 205.21 g/mol, XLogP of -1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-hydroxypropan-2-yl(methyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 104551501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).