(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid

C14H15NO2 — CID 70213460

IUPAC(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H15NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,12-13H,9,15H2,(H,16,17)/t12?,13-/m1/s1
InChIKeyLAPYOCPJXCQDSY-ZGTCLIOFSA-N
MW229.28 g/mol
LogP2.06
Rot. Bonds3

About (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid

(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid (PubChem CID 70213460) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
PubChem CID70213460
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid
SMILESN[C@@H](C(=O)O)C1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C14H15NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,12-13H,9,15H2,(H,16,17)/t12?,13-/m1/s1
InChIKeyLAPYOCPJXCQDSY-ZGTCLIOFSA-N
XLogP2.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid (CID 70213460) is (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid is N[C@@H](C(=O)O)C1C=CC(c2ccccc2)=CC1.
What is the InChIKey of (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid?
The InChIKey is LAPYOCPJXCQDSY-ZGTCLIOFSA-N. The full InChI is InChI=1S/C14H15NO2/c15-13(14(16)17)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-8,12-13H,9,15H2,(H,16,17)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid?
(2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid has a molecular weight of 229.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-phenylcyclohexa-2,4-dien-1-yl)acetic acid is sourced from PubChem (CID 70213460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).