2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid

C15H19NO4 — CID 43360456

IUPAC2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1ccccc1O)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-15(14(19)20,11-7-8-11)16-13(18)9-6-10-4-2-3-5-12(10)17/h2-5,11,17H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBRKSMQFFZHFQCI-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.69
Rot. Bonds6

About 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid (PubChem CID 43360456) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
PubChem CID43360456
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
SMILESCC(NC(=O)CCc1ccccc1O)(C(=O)O)C1CC1
InChIInChI=1S/C15H19NO4/c1-15(14(19)20,11-7-8-11)16-13(18)9-6-10-4-2-3-5-12(10)17/h2-5,11,17H,6-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyBRKSMQFFZHFQCI-UHFFFAOYSA-N
XLogP1.69
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid (CID 43360456) is 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid is CC(NC(=O)CCc1ccccc1O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
The InChIKey is BRKSMQFFZHFQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(14(19)20,11-7-8-11)16-13(18)9-6-10-4-2-3-5-12(10)17/h2-5,11,17H,6-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid has a molecular weight of 277.32 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43360456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).