1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 118355500

IUPAC1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCC(N)C1(C(=O)O)CC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4(7)6(2-3-6)5(8)9;/h4H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyGMSAMNRXFFWJMC-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.62
Rot. Bonds2

About 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride

1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 118355500) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID118355500
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCC(N)C1(C(=O)O)CC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4(7)6(2-3-6)5(8)9;/h4H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyGMSAMNRXFFWJMC-UHFFFAOYSA-N
XLogP0.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-Methylcyclopropyl)glycine hydrochloride, (+-)-
CID 12767940
2-(Aminomethyl)-2-ethylbutanoic acid hydrochloride
CID 53398884
1-(Aminomethyl)cyclopropane-1-carboxylic acid hydrochloride
CID 53433553
3-Amino-2-ethylbutanoic acid
CID 541735
2-(Azaniumylmethyl)-2-methylbutanoic acid chloride
CID 71757336
2-(Aminomethyl)-2-methylbutanoic acid hydrochloride
CID 121605253
(2R,3R)-3-amino-2-ethylbutanoic acid
CID 10678274
2-(Aminomethyl)-2-ethylbutanoic acid
CID 21848078
2-(1-Methylcyclopropyl)glycine hydrochloride, (R)-
CID 57516612
(2S)-2-amino-2-(1-methylcyclopropyl)acetic acid hydrochloride
CID 91825926
(2S,3S)-3-amino-2-ethylbutanoic acid
CID 10749214
1-(1-Amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 115016357

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 118355500) is 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride is CC(N)C1(C(=O)O)CC1.Cl.
What is the InChIKey of 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is GMSAMNRXFFWJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-4(7)6(2-3-6)5(8)9;/h4H,2-3,7H2,1H3,(H,8,9);1H.
What are the key properties of 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride?
1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 118355500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).