2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid

C12H15NO2 — CID 5151318

IUPAC2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(N)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)12(13,11(14)15)10-6-7-10/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyVSFZHJSATXNCIJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid

2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid (PubChem CID 5151318) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
PubChem CID5151318
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid
SMILESCc1ccc(C(N)(C(=O)O)C2CC2)cc1
InChIInChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)12(13,11(14)15)10-6-7-10/h2-5,10H,6-7,13H2,1H3,(H,14,15)
InChIKeyVSFZHJSATXNCIJ-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid?
The IUPAC name of 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid (CID 5151318) is 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid is Cc1ccc(C(N)(C(=O)O)C2CC2)cc1.
What is the InChIKey of 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid?
The InChIKey is VSFZHJSATXNCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)12(13,11(14)15)10-6-7-10/h2-5,10H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid?
2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid has a molecular weight of 205.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-2-(4-methylphenyl)acetic acid is sourced from PubChem (CID 5151318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).