cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride

C6H9ClFNO4 — CID 50902543

IUPACcis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@]1(C(=O)O)C[C@@]1(F)CC(=O)O
InChIInChI=1S/C6H8FNO4.ClH/c7-5(1-3(9)10)2-6(5,8)4(11)12;/h1-2,8H2,(H,9,10)(H,11,12);1H/t5-,6-;/m0./s1
InChIKeyOBRTYIGMSOAPIQ-GEMLJDPKSA-N
MW213.59 g/mol
LogP-0.22
Rot. Bonds3

About cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride

cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 50902543) has the molecular formula C6H9ClFNO4 and a molecular weight of 213.59 g/mol. Its IUPAC name is cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Namecis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride
PubChem CID50902543
Molecular FormulaC6H9ClFNO4
Molecular Weight213.59 g/mol
Exact Mass213.02
IUPAC Namecis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@]1(C(=O)O)C[C@@]1(F)CC(=O)O
InChIInChI=1S/C6H8FNO4.ClH/c7-5(1-3(9)10)2-6(5,8)4(11)12;/h1-2,8H2,(H,9,10)(H,11,12);1H/t5-,6-;/m0./s1
InChIKeyOBRTYIGMSOAPIQ-GEMLJDPKSA-N
XLogP-0.22
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.59
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride (CID 50902543) is cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride is Cl.N[C@]1(C(=O)O)C[C@@]1(F)CC(=O)O.
What is the InChIKey of cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is OBRTYIGMSOAPIQ-GEMLJDPKSA-N. The full InChI is InChI=1S/C6H8FNO4.ClH/c7-5(1-3(9)10)2-6(5,8)4(11)12;/h1-2,8H2,(H,9,10)(H,11,12);1H/t5-,6-;/m0./s1.
What are the key properties of cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride?
cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 213.59 g/mol, XLogP of -0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-amino-2-(carboxymethyl)-2-fluorocyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 50902543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).