2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride

C5H10ClNO2 — CID 78144501

IUPAC2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CC1C(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-2-3-1-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyUJPDAGAIBGOYRB-UHFFFAOYSA-N
MW151.59 g/mol
LogP0.09
Rot. Bonds2

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

2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 78144501) has the molecular formula C5H10ClNO2 and a molecular weight of 151.59 g/mol. Its IUPAC name is 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID78144501
Molecular FormulaC5H10ClNO2
Molecular Weight151.59 g/mol
Exact Mass151.04
IUPAC Name2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NCC1CC1C(=O)O
InChIInChI=1S/C5H9NO2.ClH/c6-2-3-1-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyUJPDAGAIBGOYRB-UHFFFAOYSA-N
XLogP0.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.59
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-amino-2-hydroxypropyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 166410338
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
CID 162341780
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483
2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid
CID 105437824
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325
1-[(1R,2S)-2-(aminomethyl)cyclopropyl]-3-methylbut-2-en-1-one
CID 165465054
4,5-bis(2,2-dimethylpropyl)cyclohexane-1,2-dicarboxylic acid
CID 155177346
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
CID 95757429
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 78144501) is 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NCC1CC1C(=O)O.
What is the InChIKey of 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is UJPDAGAIBGOYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.ClH/c6-2-3-1-4(3)5(7)8;/h3-4H,1-2,6H2,(H,7,8);1H.
What are the key properties of 2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride?
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 151.59 g/mol, XLogP of 0.09, 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;hydrochloride is sourced from PubChem (CID 78144501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).