trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid

C10H9Cl2NO2 — CID 95002465

IUPACtrans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-10(6,13)9(14)15/h1-3,6H,4,13H2,(H,14,15)/t6-,10+/m0/s1
InChIKeyCEPAFJXWXPXGOY-QUBYGPBYSA-N
MW246.09 g/mol
LogP2.26
Rot. Bonds2

About trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 95002465) has the molecular formula C10H9Cl2NO2 and a molecular weight of 246.09 g/mol. Its IUPAC name is trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
PubChem CID95002465
Molecular FormulaC10H9Cl2NO2
Molecular Weight246.09 g/mol
Exact Mass245.00
IUPAC Nametrans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
SMILESN[C@]1(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H9Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-10(6,13)9(14)15/h1-3,6H,4,13H2,(H,14,15)/t6-,10+/m0/s1
InChIKeyCEPAFJXWXPXGOY-QUBYGPBYSA-N
XLogP2.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.09
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid (CID 95002465) is trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid is N[C@]1(C(=O)O)C[C@H]1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is CEPAFJXWXPXGOY-QUBYGPBYSA-N. The full InChI is InChI=1S/C10H9Cl2NO2/c11-7-2-1-5(3-8(7)12)6-4-10(6,13)9(14)15/h1-3,6H,4,13H2,(H,14,15)/t6-,10+/m0/s1.
What are the key properties of trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 246.09 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95002465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).