3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid

C10H19NO4 — CID 62827742

IUPAC3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOC
InChIInChI=1S/C10H19NO4/c1-4-11(7-8(2)10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyWWFXQMMURYUZSP-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.59
Rot. Bonds7

About 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid

3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid (PubChem CID 62827742) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid
PubChem CID62827742
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)CCOC
InChIInChI=1S/C10H19NO4/c1-4-11(7-8(2)10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyWWFXQMMURYUZSP-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid (CID 62827742) is 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)CCOC.
What is the InChIKey of 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid?
The InChIKey is WWFXQMMURYUZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-11(7-8(2)10(13)14)9(12)5-6-15-3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid?
3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-methoxypropanoyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62827742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).