2-phenyl-2-(3-propan-2-ylanilino)acetic acid

C17H19NO2 — CID 21063795

IUPAC2-phenyl-2-(3-propan-2-ylanilino)acetic acid
SMILESCC(C)c1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12(2)14-9-6-10-15(11-14)18-16(17(19)20)13-7-4-3-5-8-13/h3-12,16,18H,1-2H3,(H,19,20)
InChIKeyIOPYCFRWMXZQHJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.05
Rot. Bonds5

About 2-phenyl-2-(3-propan-2-ylanilino)acetic acid

2-phenyl-2-(3-propan-2-ylanilino)acetic acid (PubChem CID 21063795) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-phenyl-2-(3-propan-2-ylanilino)acetic acid.

Molecular Properties

Compound Name2-phenyl-2-(3-propan-2-ylanilino)acetic acid
PubChem CID21063795
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-phenyl-2-(3-propan-2-ylanilino)acetic acid
SMILESCC(C)c1cccc(NC(C(=O)O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12(2)14-9-6-10-15(11-14)18-16(17(19)20)13-7-4-3-5-8-13/h3-12,16,18H,1-2H3,(H,19,20)
InChIKeyIOPYCFRWMXZQHJ-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-phenyl-2-(3-propan-2-ylanilino)acetamide
CID 33474317
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
(2R)-2-(3,4-dimethylanilino)-2-phenylacetic acid
CID 7148217
2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
2-(3,4-difluoroanilino)-2-phenylacetic acid
CID 70136310
2-(3-propan-2-ylanilino)butanamide
CID 62900215
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845
2-[3-(1-amino-2-oxo-2-phenylmethoxyethyl)anilino]-2-phenylacetic acid
CID 174410898
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(4-tert-butylanilino)-2-phenylacetic acid
CID 103232176
methyl 2-methyl-3-(3-propan-2-ylanilino)butanoate
CID 79391945
(2R)-2-anilino-2-(4-fluorophenyl)acetic acid
CID 28810428

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-(3-propan-2-ylanilino)acetic acid?
The IUPAC name of 2-phenyl-2-(3-propan-2-ylanilino)acetic acid (CID 21063795) is 2-phenyl-2-(3-propan-2-ylanilino)acetic acid.
What is the SMILES notation for 2-phenyl-2-(3-propan-2-ylanilino)acetic acid?
The canonical SMILES for 2-phenyl-2-(3-propan-2-ylanilino)acetic acid is CC(C)c1cccc(NC(C(=O)O)c2ccccc2)c1.
What is the InChIKey of 2-phenyl-2-(3-propan-2-ylanilino)acetic acid?
The InChIKey is IOPYCFRWMXZQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)14-9-6-10-15(11-14)18-16(17(19)20)13-7-4-3-5-8-13/h3-12,16,18H,1-2H3,(H,19,20).
What are the key properties of 2-phenyl-2-(3-propan-2-ylanilino)acetic acid?
2-phenyl-2-(3-propan-2-ylanilino)acetic acid has a molecular weight of 269.34 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-(3-propan-2-ylanilino)acetic acid is sourced from PubChem (CID 21063795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).