2-methyl-3-(methylcarbamoyloxy)propanoic acid

C6H11NO4 — CID 71405715

IUPAC2-methyl-3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCC(C)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(5(8)9)3-11-6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyMSWLKIFFHBDHKX-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.06
Rot. Bonds3

About 2-methyl-3-(methylcarbamoyloxy)propanoic acid

2-methyl-3-(methylcarbamoyloxy)propanoic acid (PubChem CID 71405715) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methyl-3-(methylcarbamoyloxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-3-(methylcarbamoyloxy)propanoic acid
PubChem CID71405715
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-methyl-3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCC(C)C(=O)O
InChIInChI=1S/C6H11NO4/c1-4(5(8)9)3-11-6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyMSWLKIFFHBDHKX-UHFFFAOYSA-N
XLogP0.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The IUPAC name of 2-methyl-3-(methylcarbamoyloxy)propanoic acid (CID 71405715) is 2-methyl-3-(methylcarbamoyloxy)propanoic acid.
What is the SMILES notation for 2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The canonical SMILES for 2-methyl-3-(methylcarbamoyloxy)propanoic acid is CNC(=O)OCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(methylcarbamoyloxy)propanoic acid?
The InChIKey is MSWLKIFFHBDHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(5(8)9)3-11-6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 2-methyl-3-(methylcarbamoyloxy)propanoic acid?
2-methyl-3-(methylcarbamoyloxy)propanoic acid has a molecular weight of 161.16 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylcarbamoyloxy)propanoic acid is sourced from PubChem (CID 71405715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).