1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid

C9H17NO2 — CID 10419611

IUPAC1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CC1CC1(CN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-9(7,5-10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyIMFRRAFTPZOUDL-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds4

About 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid

1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 10419611) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
PubChem CID10419611
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
SMILESCC(C)CC1CC1(CN)C(=O)O
InChIInChI=1S/C9H17NO2/c1-6(2)3-7-4-9(7,5-10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12)
InChIKeyIMFRRAFTPZOUDL-UHFFFAOYSA-N
XLogP1.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid (CID 10419611) is 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid is CC(C)CC1CC1(CN)C(=O)O.
What is the InChIKey of 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is IMFRRAFTPZOUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)3-7-4-9(7,5-10)8(11)12/h6-7H,3-5,10H2,1-2H3,(H,11,12).
What are the key properties of 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid?
1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10419611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).