1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid

C10H19NO2 — CID 10375158

IUPAC1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid
SMILESCCC(CC)C1CC1(CN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-7(4-2)8-5-10(8,6-11)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyMDYSJBCKHGDYQB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds5

About 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid

1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid (PubChem CID 10375158) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid
PubChem CID10375158
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid
SMILESCCC(CC)C1CC1(CN)C(=O)O
InChIInChI=1S/C10H19NO2/c1-3-7(4-2)8-5-10(8,6-11)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyMDYSJBCKHGDYQB-UHFFFAOYSA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid (CID 10375158) is 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid is CCC(CC)C1CC1(CN)C(=O)O.
What is the InChIKey of 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid?
The InChIKey is MDYSJBCKHGDYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7(4-2)8-5-10(8,6-11)9(12)13/h7-8H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid?
1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-pentan-3-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10375158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).