2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid

C12H21NO5 — CID 120580773

IUPAC2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COC1CCOCC1
InChIInChI=1S/C12H21NO5/c1-9(2)13(7-12(15)16)11(14)8-18-10-3-5-17-6-4-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyHUIPMKVSEFTSEJ-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.50
Rot. Bonds6

About 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid

2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid (PubChem CID 120580773) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
PubChem CID120580773
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)COC1CCOCC1
InChIInChI=1S/C12H21NO5/c1-9(2)13(7-12(15)16)11(14)8-18-10-3-5-17-6-4-10/h9-10H,3-8H2,1-2H3,(H,15,16)
InChIKeyHUIPMKVSEFTSEJ-UHFFFAOYSA-N
XLogP0.50
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(oxan-4-yloxy)propanoyl-propan-2-ylamino]propanoic acid
CID 120520092
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[(2-ethoxyacetyl)-propan-2-ylamino]acetic acid
CID 60831185
2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
CID 119349069
2-[(2-cyclobutylacetyl)-propan-2-ylamino]acetic acid
CID 103925577
2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
CID 115729870
N-[(3-methylphenyl)methyl]-2-[(3S)-oxolan-3-yl]oxy-N-propan-2-ylacetamide
CID 166323814
ethyl 4-(oxan-4-yloxy)-3-oxobutanoate
CID 21253091
2-[[2-(cyclopropylamino)acetyl]-propan-2-ylamino]acetic acid
CID 61162023
2-[(2-cyclohexylacetyl)-propan-2-ylamino]acetic acid
CID 60831184
2-[butan-2-yl-[2-(2-methylcyclohexyl)oxyacetyl]amino]acetic acid
CID 119954564

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid (CID 120580773) is 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)COC1CCOCC1.
What is the InChIKey of 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is HUIPMKVSEFTSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-9(2)13(7-12(15)16)11(14)8-18-10-3-5-17-6-4-10/h9-10H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid?
2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 259.30 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120580773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).