2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid

C10H19NO4 — CID 62591148

IUPAC2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOC
InChIInChI=1S/C10H19NO4/c1-4-8(2)11(7-10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyOAGLMNBMXPINKQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds7

About 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid

2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid (PubChem CID 62591148) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
PubChem CID62591148
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CCOC
InChIInChI=1S/C10H19NO4/c1-4-8(2)11(7-10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyOAGLMNBMXPINKQ-UHFFFAOYSA-N
XLogP0.73
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[3-methoxypropanoyl(propan-2-yl)amino]acetic acid
CID 62590585
2-[3-(2-methoxyethoxy)propanoyl-propan-2-ylamino]acetic acid
CID 119198563
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[butan-2-yl-[3-(2-methylphenoxy)propanoyl]amino]acetic acid
CID 60828723
2-[(5-amino-4-methylpentanoyl)-butan-2-ylamino]acetic acid
CID 82011908
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
CID 115749928
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
2-[butan-2-yl(3-cyclopentylpropanoyl)amino]acetic acid
CID 60828220
2-[[2-(butanoylamino)acetyl]-butan-2-ylamino]acetic acid
CID 119955160

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid (CID 62591148) is 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CCOC.
What is the InChIKey of 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid?
The InChIKey is OAGLMNBMXPINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-8(2)11(7-10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid?
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid is sourced from PubChem (CID 62591148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).