3-(methylcarbamoyloxy)propanoic acid

C5H9NO4 — CID 88635151

IUPAC3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCCC(=O)O
InChIInChI=1S/C5H9NO4/c1-6-5(9)10-3-2-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8)
InChIKeyGLUKIZNIURVODB-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.18
Rot. Bonds3

About 3-(methylcarbamoyloxy)propanoic acid

3-(methylcarbamoyloxy)propanoic acid (PubChem CID 88635151) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(methylcarbamoyloxy)propanoic acid.

Molecular Properties

Compound Name3-(methylcarbamoyloxy)propanoic acid
PubChem CID88635151
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3-(methylcarbamoyloxy)propanoic acid
SMILESCNC(=O)OCCC(=O)O
InChIInChI=1S/C5H9NO4/c1-6-5(9)10-3-2-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8)
InChIKeyGLUKIZNIURVODB-UHFFFAOYSA-N
XLogP-0.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylcarbamoyloxy)propanoic acid?
The IUPAC name of 3-(methylcarbamoyloxy)propanoic acid (CID 88635151) is 3-(methylcarbamoyloxy)propanoic acid.
What is the SMILES notation for 3-(methylcarbamoyloxy)propanoic acid?
The canonical SMILES for 3-(methylcarbamoyloxy)propanoic acid is CNC(=O)OCCC(=O)O.
What is the InChIKey of 3-(methylcarbamoyloxy)propanoic acid?
The InChIKey is GLUKIZNIURVODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-6-5(9)10-3-2-4(7)8/h2-3H2,1H3,(H,6,9)(H,7,8).
What are the key properties of 3-(methylcarbamoyloxy)propanoic acid?
3-(methylcarbamoyloxy)propanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylcarbamoyloxy)propanoic acid is sourced from PubChem (CID 88635151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).