2-[methoxycarbonyl(methyl)amino]acetic acid

C5H9NO4 — CID 14346035

IUPAC2-[methoxycarbonyl(methyl)amino]acetic acid
SMILESCOC(=O)N(C)CC(=O)O
InChIInChI=1S/C5H9NO4/c1-6(3-4(7)8)5(9)10-2/h3H2,1-2H3,(H,7,8)
InChIKeyJCEXOJXRRPCPJJ-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.23
Rot. Bonds2

About 2-[methoxycarbonyl(methyl)amino]acetic acid

2-[methoxycarbonyl(methyl)amino]acetic acid (PubChem CID 14346035) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 2-[methoxycarbonyl(methyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methoxycarbonyl(methyl)amino]acetic acid
PubChem CID14346035
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name2-[methoxycarbonyl(methyl)amino]acetic acid
SMILESCOC(=O)N(C)CC(=O)O
InChIInChI=1S/C5H9NO4/c1-6(3-4(7)8)5(9)10-2/h3H2,1-2H3,(H,7,8)
InChIKeyJCEXOJXRRPCPJJ-UHFFFAOYSA-N
XLogP-0.23
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[methoxycarbonyl(methyl)amino]acetic acid?
The IUPAC name of 2-[methoxycarbonyl(methyl)amino]acetic acid (CID 14346035) is 2-[methoxycarbonyl(methyl)amino]acetic acid.
What is the SMILES notation for 2-[methoxycarbonyl(methyl)amino]acetic acid?
The canonical SMILES for 2-[methoxycarbonyl(methyl)amino]acetic acid is COC(=O)N(C)CC(=O)O.
What is the InChIKey of 2-[methoxycarbonyl(methyl)amino]acetic acid?
The InChIKey is JCEXOJXRRPCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-6(3-4(7)8)5(9)10-2/h3H2,1-2H3,(H,7,8).
What are the key properties of 2-[methoxycarbonyl(methyl)amino]acetic acid?
2-[methoxycarbonyl(methyl)amino]acetic acid has a molecular weight of 147.13 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxycarbonyl(methyl)amino]acetic acid is sourced from PubChem (CID 14346035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).