3-carbamoyloxy-2-phenylpropanoic acid

C10H11NO4 — CID 3025746

IUPAC3-carbamoyloxy-2-phenylpropanoic acid
SMILESNC(=O)OCC(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)
InChIKeyAYRIVCKWIAUVOO-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.95
Rot. Bonds4

About 3-carbamoyloxy-2-phenylpropanoic acid

3-carbamoyloxy-2-phenylpropanoic acid (PubChem CID 3025746) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-carbamoyloxy-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-carbamoyloxy-2-phenylpropanoic acid
PubChem CID3025746
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name3-carbamoyloxy-2-phenylpropanoic acid
SMILESNC(=O)OCC(C(=O)O)c1ccccc1
InChIInChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13)
InChIKeyAYRIVCKWIAUVOO-UHFFFAOYSA-N
XLogP0.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-carbamoyloxy-2-phenylpropanoic acid?
The IUPAC name of 3-carbamoyloxy-2-phenylpropanoic acid (CID 3025746) is 3-carbamoyloxy-2-phenylpropanoic acid.
What is the SMILES notation for 3-carbamoyloxy-2-phenylpropanoic acid?
The canonical SMILES for 3-carbamoyloxy-2-phenylpropanoic acid is NC(=O)OCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-carbamoyloxy-2-phenylpropanoic acid?
The InChIKey is AYRIVCKWIAUVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c11-10(14)15-6-8(9(12)13)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,14)(H,12,13).
What are the key properties of 3-carbamoyloxy-2-phenylpropanoic acid?
3-carbamoyloxy-2-phenylpropanoic acid has a molecular weight of 209.20 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamoyloxy-2-phenylpropanoic acid is sourced from PubChem (CID 3025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).