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

C9H17NO4 — CID 62590777

IUPAC3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-7(9(12)13)6-10(2)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyXWFYGPKEQUAPPY-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.20
Rot. Bonds6

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

3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 62590777) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid
PubChem CID62590777
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid
SMILESCOCCC(=O)N(C)CC(C)C(=O)O
InChIInChI=1S/C9H17NO4/c1-7(9(12)13)6-10(2)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyXWFYGPKEQUAPPY-UHFFFAOYSA-N
XLogP0.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid (CID 62590777) is 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid is COCCC(=O)N(C)CC(C)C(=O)O.
What is the InChIKey of 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is XWFYGPKEQUAPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-7(9(12)13)6-10(2)8(11)4-5-14-3/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid?
3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 203.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxypropanoyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62590777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).