1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

C8H15NO2 — CID 10419427

IUPAC1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(CN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLUEYOYPNOZUDTC-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid

1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 10419427) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID10419427
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC(C)C1CC1(CN)C(=O)O
InChIInChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyLUEYOYPNOZUDTC-UHFFFAOYSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid (CID 10419427) is 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is CC(C)C1CC1(CN)C(=O)O.
What is the InChIKey of 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is LUEYOYPNOZUDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5(2)6-3-8(6,4-9)7(10)11/h5-6H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid?
1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 10419427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).