2-acetamido-2-cyclopropylpropanoic acid

C8H13NO3 — CID 11137571

IUPAC2-acetamido-2-cyclopropylpropanoic acid
SMILESCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-5(10)9-8(2,7(11)12)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyVWQKLKHJGPCATE-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.38
Rot. Bonds3

About 2-acetamido-2-cyclopropylpropanoic acid

2-acetamido-2-cyclopropylpropanoic acid (PubChem CID 11137571) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-acetamido-2-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-acetamido-2-cyclopropylpropanoic acid
PubChem CID11137571
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-acetamido-2-cyclopropylpropanoic acid
SMILESCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C8H13NO3/c1-5(10)9-8(2,7(11)12)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKeyVWQKLKHJGPCATE-UHFFFAOYSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-cyclopropylpropanoic acid?
The IUPAC name of 2-acetamido-2-cyclopropylpropanoic acid (CID 11137571) is 2-acetamido-2-cyclopropylpropanoic acid.
What is the SMILES notation for 2-acetamido-2-cyclopropylpropanoic acid?
The canonical SMILES for 2-acetamido-2-cyclopropylpropanoic acid is CC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-acetamido-2-cyclopropylpropanoic acid?
The InChIKey is VWQKLKHJGPCATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)9-8(2,7(11)12)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-2-cyclopropylpropanoic acid?
2-acetamido-2-cyclopropylpropanoic acid has a molecular weight of 171.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-cyclopropylpropanoic acid is sourced from PubChem (CID 11137571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).