(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid

C8H11Cl2NO3 — CID 103791157

IUPAC(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(C)CC1(Cl)Cl)C(=O)O
InChIInChI=1S/C8H11Cl2NO3/c1-4(5(12)13)11-6(14)7(2)3-8(7,9)10/h4H,3H2,1-2H3,(H,11,14)(H,12,13)/t4-,7?/m1/s1
InChIKeyFBFWBORTNOZSHW-AWGJQOPUSA-N
MW240.09 g/mol
LogP1.16
Rot. Bonds3

About (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid

(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid (PubChem CID 103791157) has the molecular formula C8H11Cl2NO3 and a molecular weight of 240.09 g/mol. Its IUPAC name is (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid
PubChem CID103791157
Molecular FormulaC8H11Cl2NO3
Molecular Weight240.09 g/mol
Exact Mass239.01
IUPAC Name(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid
SMILESC[C@@H](NC(=O)C1(C)CC1(Cl)Cl)C(=O)O
InChIInChI=1S/C8H11Cl2NO3/c1-4(5(12)13)11-6(14)7(2)3-8(7,9)10/h4H,3H2,1-2H3,(H,11,14)(H,12,13)/t4-,7?/m1/s1
InChIKeyFBFWBORTNOZSHW-AWGJQOPUSA-N
XLogP1.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid?
The IUPAC name of (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid (CID 103791157) is (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid?
The canonical SMILES for (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid is C[C@@H](NC(=O)C1(C)CC1(Cl)Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid?
The InChIKey is FBFWBORTNOZSHW-AWGJQOPUSA-N. The full InChI is InChI=1S/C8H11Cl2NO3/c1-4(5(12)13)11-6(14)7(2)3-8(7,9)10/h4H,3H2,1-2H3,(H,11,14)(H,12,13)/t4-,7?/m1/s1.
What are the key properties of (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid?
(2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid has a molecular weight of 240.09 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]propanoic acid is sourced from PubChem (CID 103791157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).