3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid

C9H16N2O5 — CID 61499075

IUPAC3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
SMILESCCOC(=O)C(C)NC(=O)NCCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-16-8(14)6(2)11-9(15)10-5-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,15)
InChIKeyGRNDKZGBPNAEAR-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds6

About 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid

3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid (PubChem CID 61499075) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
PubChem CID61499075
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
SMILESCCOC(=O)C(C)NC(=O)NCCC(=O)O
InChIInChI=1S/C9H16N2O5/c1-3-16-8(14)6(2)11-9(15)10-5-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,15)
InChIKeyGRNDKZGBPNAEAR-UHFFFAOYSA-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

Analyze 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2,2-dimethylbutanoic acid
CID 114285759
5-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]hexanoic acid
CID 82848167
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]pentanedioic acid
CID 61499191
(1-ethoxy-1-oxopropan-2-yl)carbamic acid
CID 58928687
2-[[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]methyl]butanoic acid
CID 65221246
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylpentanoic acid
CID 61498748
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
5-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]pentanoic acid
CID 87941374
4-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]butanoic acid
CID 54958611
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 64701267
ethyl (2S)-2-acetamidopropanoate
CID 11805045
3-(4-methoxybutan-2-ylcarbamoylamino)propanoic acid
CID 64605721

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid (CID 61499075) is 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid is CCOC(=O)C(C)NC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is GRNDKZGBPNAEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-3-16-8(14)6(2)11-9(15)10-5-4-7(12)13/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,15).
What are the key properties of 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]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 3-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 61499075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).