2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid

C10H19NO4 — CID 119198254

IUPAC2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCOCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyIOHVMLGGUHSLSY-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.59
Rot. Bonds6

About 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid

2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid (PubChem CID 119198254) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
PubChem CID119198254
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid
SMILESCOCC(C)C(=O)N(CC(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyIOHVMLGGUHSLSY-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-[(2-methyl-3-methylsulfanylpropanoyl)-propan-2-ylamino]acetic acid
CID 119198355
2-[[2-methyl-3-(methylamino)propanoyl]-propan-2-ylamino]acetic acid
CID 79201889
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[(2-methoxyacetyl)-propan-2-ylamino]acetic acid
CID 61276953
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[(2-hydroxy-3-methoxypropyl)-propan-2-ylamino]acetic acid
CID 63931350
2-[[2-(2-methoxyethylsulfanyl)acetyl]-propan-2-ylamino]acetic acid
CID 60831871
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]acetic acid
CID 54499347
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[(3-methoxy-2-methylpropyl)sulfonyl-propan-2-ylamino]acetic acid
CID 122072137
(2S)-2-[carboxymethyl-[(2S)-2-methyl-3-sulfanylpropanoyl]amino]propanoic acid
CID 57061099
2-[4-methoxybutan-2-yl(2-methoxyethyl)amino]acetic acid
CID 65067403

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid (CID 119198254) is 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid is COCC(C)C(=O)N(CC(=O)O)C(C)C.
What is the InChIKey of 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid?
The InChIKey is IOHVMLGGUHSLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(2)11(5-9(12)13)10(14)8(3)6-15-4/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid?
2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-methylpropanoyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 119198254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).