1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride

C6H10ClNO4 — CID 75132599

IUPAC1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C6H9NO4.ClH/c7-6(5(10)11)2-3(6)1-4(8)9;/h3H,1-2,7H2,(H,8,9)(H,10,11);1H
InChIKeyVSRLMBHYXVIRGH-UHFFFAOYSA-N
MW195.60 g/mol
LogP-0.32
Rot. Bonds3

About 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride

1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 75132599) has the molecular formula C6H10ClNO4 and a molecular weight of 195.60 g/mol. Its IUPAC name is 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID75132599
Molecular FormulaC6H10ClNO4
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Name1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC1(C(=O)O)CC1CC(=O)O
InChIInChI=1S/C6H9NO4.ClH/c7-6(5(10)11)2-3(6)1-4(8)9;/h3H,1-2,7H2,(H,8,9)(H,10,11);1H
InChIKeyVSRLMBHYXVIRGH-UHFFFAOYSA-N
XLogP-0.32
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 75132599) is 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NC1(C(=O)O)CC1CC(=O)O.
What is the InChIKey of 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is VSRLMBHYXVIRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4.ClH/c7-6(5(10)11)2-3(6)1-4(8)9;/h3H,1-2,7H2,(H,8,9)(H,10,11);1H.
What are the key properties of 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride?
1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 195.60 g/mol, XLogP of -0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(carboxymethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 75132599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).