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

C10H19NO4 — CID 115749928

IUPAC2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C(C)OC
InChIInChI=1S/C10H19NO4/c1-5-7(2)11(6-9(12)13)10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyCRLOMAQXHASBCY-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.73
Rot. Bonds6

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

2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid (PubChem CID 115749928) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
PubChem CID115749928
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)C(C)OC
InChIInChI=1S/C10H19NO4/c1-5-7(2)11(6-9(12)13)10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,12,13)
InChIKeyCRLOMAQXHASBCY-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-3-methylbutanoyl)-butan-2-ylamino]acetic acid
CID 61161299
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
2-[butan-2-yl(3-methoxypropanoyl)amino]acetic acid
CID 62591148
2-[butan-2-yl-[2-methoxyethyl(methyl)carbamoyl]amino]acetic acid
CID 61428242
2-[butan-2-yl-[2-(methylamino)acetyl]amino]acetic acid
CID 61161496
2-[butan-2-yl-[ethyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 54948701
2-[butan-2-yl-[2-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 120688282
2-[butan-2-yl(tert-butylcarbamoyl)amino]acetic acid
CID 60829080
2-[[(2R)-2-(azepan-1-yl)propanoyl]-[(2R)-butan-2-yl]amino]acetic acid
CID 99850362
2-[butan-2-yl-[3-(2-methoxyethoxy)propanoyl]amino]acetic acid
CID 119954791
2-[butan-2-yl-[cyclopropyl(2-methoxyethyl)carbamoyl]amino]acetic acid
CID 61452739
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid (CID 115749928) is 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)C(C)OC.
What is the InChIKey of 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid?
The InChIKey is CRLOMAQXHASBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(2)11(6-9(12)13)10(14)8(3)15-4/h7-8H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid?
2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxypropanoyl)amino]acetic acid is sourced from PubChem (CID 115749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).