1-(aminomethyl)cyclopropane-1-carboxylic acid

C5H9NO2 — CID 15033901

IUPAC1-(aminomethyl)cyclopropane-1-carboxylic acid
SMILESNCC1(C(=O)O)CC1
InChIInChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKeyMJQJJFZHAQFTDZ-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.19
Rot. Bonds2

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

1-(aminomethyl)cyclopropane-1-carboxylic acid (PubChem CID 15033901) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-(aminomethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(aminomethyl)cyclopropane-1-carboxylic acid
PubChem CID15033901
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-(aminomethyl)cyclopropane-1-carboxylic acid
SMILESNCC1(C(=O)O)CC1
InChIInChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8)
InChIKeyMJQJJFZHAQFTDZ-UHFFFAOYSA-N
XLogP-0.19
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 ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(aminomethyl)cyclopropane-1-carboxylic acid (CID 15033901) is 1-(aminomethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(aminomethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(aminomethyl)cyclopropane-1-carboxylic acid is NCC1(C(=O)O)CC1.
What is the InChIKey of 1-(aminomethyl)cyclopropane-1-carboxylic acid?
The InChIKey is MJQJJFZHAQFTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-3-5(1-2-5)4(7)8/h1-3,6H2,(H,7,8).
What are the key properties of 1-(aminomethyl)cyclopropane-1-carboxylic acid?
1-(aminomethyl)cyclopropane-1-carboxylic acid has a molecular weight of 115.13 g/mol, XLogP of -0.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 15033901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).