2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid

C19H26N2O4 — CID 119202685

IUPAC2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-12(18(24)25)21(15-9-10-15)17(23)14-7-5-13(6-8-14)16(22)20-11-19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25)
InChIKeyARWRNIXEYVBGRI-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.54
Rot. Bonds6

About 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid

2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid (PubChem CID 119202685) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
PubChem CID119202685
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C1CC1
InChIInChI=1S/C19H26N2O4/c1-12(18(24)25)21(15-9-10-15)17(23)14-7-5-13(6-8-14)16(22)20-11-19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25)
InChIKeyARWRNIXEYVBGRI-UHFFFAOYSA-N
XLogP2.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid (CID 119202685) is 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid is CC(C(=O)O)N(C(=O)c1ccc(C(=O)NCC(C)(C)C)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid?
The InChIKey is ARWRNIXEYVBGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(18(24)25)21(15-9-10-15)17(23)14-7-5-13(6-8-14)16(22)20-11-19(2,3)4/h5-8,12,15H,9-11H2,1-4H3,(H,20,22)(H,24,25).
What are the key properties of 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid?
2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[4-(2,2-dimethylpropylcarbamoyl)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119202685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).