1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid

C9H15NO3 — CID 131169567

IUPAC1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(NC(C)=O)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-8(3)5-9(8,7(12)13)10-6(2)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyYAUVVNSDDGXMHP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds3

About 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid

1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid (PubChem CID 131169567) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid
PubChem CID131169567
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid
SMILESCCC1(C)CC1(NC(C)=O)C(=O)O
InChIInChI=1S/C9H15NO3/c1-4-8(3)5-9(8,7(12)13)10-6(2)11/h4-5H2,1-3H3,(H,10,11)(H,12,13)
InChIKeyYAUVVNSDDGXMHP-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid (CID 131169567) is 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid is CCC1(C)CC1(NC(C)=O)C(=O)O.
What is the InChIKey of 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
The InChIKey is YAUVVNSDDGXMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-8(3)5-9(8,7(12)13)10-6(2)11/h4-5H2,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid?
1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-2-ethyl-2-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 131169567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).