3-acetamido-2-hydroxypropanoic acid

C5H9NO4 — CID 22996099

IUPAC3-acetamido-2-hydroxypropanoic acid
SMILESCC(=O)NCC(O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(7)6-2-4(8)5(9)10/h4,8H,2H2,1H3,(H,6,7)(H,9,10)
InChIKeyDEJGHSUMDLLZSS-UHFFFAOYSA-N
MW147.13 g/mol
LogP-1.43
Rot. Bonds3

About 3-acetamido-2-hydroxypropanoic acid

3-acetamido-2-hydroxypropanoic acid (PubChem CID 22996099) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-acetamido-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-acetamido-2-hydroxypropanoic acid
PubChem CID22996099
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3-acetamido-2-hydroxypropanoic acid
SMILESCC(=O)NCC(O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(7)6-2-4(8)5(9)10/h4,8H,2H2,1H3,(H,6,7)(H,9,10)
InChIKeyDEJGHSUMDLLZSS-UHFFFAOYSA-N
XLogP-1.43
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-hydroxypropanoic acid?
The IUPAC name of 3-acetamido-2-hydroxypropanoic acid (CID 22996099) is 3-acetamido-2-hydroxypropanoic acid.
What is the SMILES notation for 3-acetamido-2-hydroxypropanoic acid?
The canonical SMILES for 3-acetamido-2-hydroxypropanoic acid is CC(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-acetamido-2-hydroxypropanoic acid?
The InChIKey is DEJGHSUMDLLZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(7)6-2-4(8)5(9)10/h4,8H,2H2,1H3,(H,6,7)(H,9,10).
What are the key properties of 3-acetamido-2-hydroxypropanoic acid?
3-acetamido-2-hydroxypropanoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-hydroxypropanoic acid is sourced from PubChem (CID 22996099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).