3-[methoxycarbonyl(methyl)amino]propanoic acid

C6H11NO4 — CID 60990003

IUPAC3-[methoxycarbonyl(methyl)amino]propanoic acid
SMILESCOC(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(6(10)11-2)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyFBKWKTIYOBKFGT-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.16
Rot. Bonds3

About 3-[methoxycarbonyl(methyl)amino]propanoic acid

3-[methoxycarbonyl(methyl)amino]propanoic acid (PubChem CID 60990003) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3-[methoxycarbonyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methoxycarbonyl(methyl)amino]propanoic acid
PubChem CID60990003
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3-[methoxycarbonyl(methyl)amino]propanoic acid
SMILESCOC(=O)N(C)CCC(=O)O
InChIInChI=1S/C6H11NO4/c1-7(6(10)11-2)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9)
InChIKeyFBKWKTIYOBKFGT-UHFFFAOYSA-N
XLogP0.16
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxycarbonyl(methyl)amino]propanoic acid?
The IUPAC name of 3-[methoxycarbonyl(methyl)amino]propanoic acid (CID 60990003) is 3-[methoxycarbonyl(methyl)amino]propanoic acid.
What is the SMILES notation for 3-[methoxycarbonyl(methyl)amino]propanoic acid?
The canonical SMILES for 3-[methoxycarbonyl(methyl)amino]propanoic acid is COC(=O)N(C)CCC(=O)O.
What is the InChIKey of 3-[methoxycarbonyl(methyl)amino]propanoic acid?
The InChIKey is FBKWKTIYOBKFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7(6(10)11-2)4-3-5(8)9/h3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-[methoxycarbonyl(methyl)amino]propanoic acid?
3-[methoxycarbonyl(methyl)amino]propanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxycarbonyl(methyl)amino]propanoic acid is sourced from PubChem (CID 60990003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).