(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid

C9H16N2O5 — CID 104875079

IUPAC(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCCNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-10-9(15)11-7(12)5(2)16-6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t5?,6-/m1/s1
InChIKeyYQEBLOGPWOZCIM-PRJDIBJQSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds5

About (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid

(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 104875079) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID104875079
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCCNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-10-9(15)11-7(12)5(2)16-6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t5?,6-/m1/s1
InChIKeyYQEBLOGPWOZCIM-PRJDIBJQSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid (CID 104875079) is (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid is CCNC(=O)NC(=O)C(C)O[C@H](C)C(=O)O.
What is the InChIKey of (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is YQEBLOGPWOZCIM-PRJDIBJQSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-4-10-9(15)11-7(12)5(2)16-6(3)8(13)14/h5-6H,4H2,1-3H3,(H,13,14)(H2,10,11,12,15)/t5?,6-/m1/s1.
What are the key properties of (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid?
(2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 104875079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).