2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid

C8H15NO4 — CID 61276953

IUPAC2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
SMILESCOCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C8H15NO4/c1-6(2)9(4-8(11)12)7(10)5-13-3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyXGBGERXXBSOJAJ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.05
Rot. Bonds5

About 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid

2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid (PubChem CID 61276953) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
PubChem CID61276953
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
SMILESCOCC(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C8H15NO4/c1-6(2)9(4-8(11)12)7(10)5-13-3/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyXGBGERXXBSOJAJ-UHFFFAOYSA-N
XLogP-0.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
3-[(2-methoxyacetyl)-propan-2-ylamino]propanoic acid
CID 61276954
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[[2-(2-methoxyethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 60831871
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198254
2-[(2-methoxyacetyl)-methylamino]acetic acid
CID 16777253
2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
CID 120580773
2-methoxy-N-[2-(methylamino)ethyl]-N-propan-2-ylacetamide
CID 165447343
2-[[2-(4-fluorophenoxy)acetyl]-propan-2-ylamino]acetic acid
CID 55020988
2-[[2-(carboxymethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 120581080
2-[propan-2-yl-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]acetic acid
CID 170381930

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid (CID 61276953) is 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid is COCC(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid?
The InChIKey is XGBGERXXBSOJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-6(2)9(4-8(11)12)7(10)5-13-3/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid?
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid has a molecular weight of 189.21 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61276953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).