2-(aminomethyl)cyclopropane-1-carboxylic acid

C5H9NO2 — CID 4067175

IUPAC2-(aminomethyl)cyclopropane-1-carboxylic acid
SMILESNCC1CC1C(=O)O
InChIInChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKeyQUFMERRXRMSAPZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.33
Rot. Bonds2

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

2-(aminomethyl)cyclopropane-1-carboxylic acid (PubChem CID 4067175) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-(aminomethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)cyclopropane-1-carboxylic acid
PubChem CID4067175
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-(aminomethyl)cyclopropane-1-carboxylic acid
SMILESNCC1CC1C(=O)O
InChIInChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8)
InChIKeyQUFMERRXRMSAPZ-UHFFFAOYSA-N
XLogP-0.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)cyclopropane-1-carboxylic acid (CID 4067175) is 2-(aminomethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)cyclopropane-1-carboxylic acid is NCC1CC1C(=O)O.
What is the InChIKey of 2-(aminomethyl)cyclopropane-1-carboxylic acid?
The InChIKey is QUFMERRXRMSAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2,6H2,(H,7,8).
What are the key properties of 2-(aminomethyl)cyclopropane-1-carboxylic acid?
2-(aminomethyl)cyclopropane-1-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 4067175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).