(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid

C9H16N2O5 — CID 104875284

IUPAC(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid
SMILESCCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-4-10-9(15)11-7(12)5-16-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyQWYIBDVSICCJCT-ZCFIWIBFSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds6

About (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid

(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid (PubChem CID 104875284) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid
PubChem CID104875284
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid
SMILESCCCNC(=O)NC(=O)CO[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-4-10-9(15)11-7(12)5-16-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1
InChIKeyQWYIBDVSICCJCT-ZCFIWIBFSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid?
The IUPAC name of (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid (CID 104875284) is (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid?
The canonical SMILES for (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid is CCCNC(=O)NC(=O)CO[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid?
The InChIKey is QWYIBDVSICCJCT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-3-4-10-9(15)11-7(12)5-16-6(2)8(13)14/h6H,3-5H2,1-2H3,(H,13,14)(H2,10,11,12,15)/t6-/m1/s1.
What are the key properties of (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid?
(2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-oxo-2-(propylcarbamoylamino)ethoxy]propanoic acid is sourced from PubChem (CID 104875284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).