2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid

C11H11Cl2NO2 — CID 116938659

IUPAC2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CC1C(=O)O
InChIInChI=1S/C11H11Cl2NO2/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7,10H,4,14H2,(H,15,16)
InChIKeyFYNBJIVWDPIWAZ-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.71
Rot. Bonds3

About 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid

2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116938659) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID116938659
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Name2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESNC(c1ccc(Cl)c(Cl)c1)C1CC1C(=O)O
InChIInChI=1S/C11H11Cl2NO2/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7,10H,4,14H2,(H,15,16)
InChIKeyFYNBJIVWDPIWAZ-UHFFFAOYSA-N
XLogP2.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[amino-(3-chloro-4-ethoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938610
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
2-[amino-(6-methylnaphthalen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938681
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
2-[amino-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938650
(3,4-dichlorophenyl)-(3-methylcyclohexyl)methanamine
CID 55185865
cis-(1S,2R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 31462999
2-[1-(3,4-dichlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978108
2-[1-(2,5-dichlorophenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83931438
(3,4-dichlorophenyl)-(oxan-4-yl)methanamine
CID 62906187
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
2-[(3-chloro-4-methoxyphenyl)-hydroxymethyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392547

Frequently Asked Questions

What is the IUPAC name of 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid (CID 116938659) is 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid is NC(c1ccc(Cl)c(Cl)c1)C1CC1C(=O)O.
What is the InChIKey of 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is FYNBJIVWDPIWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7,10H,4,14H2,(H,15,16).
What are the key properties of 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid?
2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 260.12 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(3,4-dichlorophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116938659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).