(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid

C15H18ClNO3 — CID 124693260

IUPAC(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
SMILESC[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-9(15(19)20)8-17(2)14(18)12-7-11(12)10-5-3-4-6-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3,(H,19,20)/t9-,11-,12-/m1/s1
InChIKeyAXBQFCILQZAJHF-YUSALJHKSA-N
MW295.77 g/mol
LogP2.62
Rot. Bonds5

About (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid

(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 124693260) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID124693260
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
SMILESC[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)O
InChIInChI=1S/C15H18ClNO3/c1-9(15(19)20)8-17(2)14(18)12-7-11(12)10-5-3-4-6-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3,(H,19,20)/t9-,11-,12-/m1/s1
InChIKeyAXBQFCILQZAJHF-YUSALJHKSA-N
XLogP2.62
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid (CID 124693260) is (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid is C[C@H](CN(C)C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)O.
What is the InChIKey of (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is AXBQFCILQZAJHF-YUSALJHKSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-9(15(19)20)8-17(2)14(18)12-7-11(12)10-5-3-4-6-13(10)16/h3-6,9,11-12H,7-8H2,1-2H3,(H,19,20)/t9-,11-,12-/m1/s1.
What are the key properties of (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid?
(2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 295.77 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[[(1R,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 124693260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).