3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid

C8H14N2O5 — CID 66165832

IUPAC3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid
SMILESCC(=O)NCCC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(11)9-3-2-7(13)10-4-6(12)8(14)15/h6,12H,2-4H2,1H3,(H,9,11)(H,10,13)(H,14,15)
InChIKeySHNUMBWOLWWNRU-UHFFFAOYSA-N
MW218.21 g/mol
LogP-1.93
Rot. Bonds6

About 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid

3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid (PubChem CID 66165832) has the molecular formula C8H14N2O5 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid
PubChem CID66165832
Molecular FormulaC8H14N2O5
Molecular Weight218.21 g/mol
Exact Mass218.09
IUPAC Name3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid
SMILESCC(=O)NCCC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H14N2O5/c1-5(11)9-3-2-7(13)10-4-6(12)8(14)15/h6,12H,2-4H2,1H3,(H,9,11)(H,10,13)(H,14,15)
InChIKeySHNUMBWOLWWNRU-UHFFFAOYSA-N
XLogP-1.93
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-1.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic 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 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid?
The IUPAC name of 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid (CID 66165832) is 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid is CC(=O)NCCC(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid?
The InChIKey is SHNUMBWOLWWNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O5/c1-5(11)9-3-2-7(13)10-4-6(12)8(14)15/h6,12H,2-4H2,1H3,(H,9,11)(H,10,13)(H,14,15).
What are the key properties of 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid?
3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid has a molecular weight of 218.21 g/mol, XLogP of -1.93, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidopropanoylamino)-2-hydroxypropanoic acid is sourced from PubChem (CID 66165832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).