2-amino-2-(2-pentan-3-ylphenyl)acetic acid

C13H19NO2 — CID 83838407

IUPAC2-amino-2-(2-pentan-3-ylphenyl)acetic acid
SMILESCCC(CC)c1ccccc1C(N)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-9(4-2)10-7-5-6-8-11(10)12(14)13(15)16/h5-9,12H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyACNGPTYCHQEOFX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.67
Rot. Bonds5

About 2-amino-2-(2-pentan-3-ylphenyl)acetic acid

2-amino-2-(2-pentan-3-ylphenyl)acetic acid (PubChem CID 83838407) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-2-(2-pentan-3-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(2-pentan-3-ylphenyl)acetic acid
PubChem CID83838407
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-amino-2-(2-pentan-3-ylphenyl)acetic acid
SMILESCCC(CC)c1ccccc1C(N)C(=O)O
InChIInChI=1S/C13H19NO2/c1-3-9(4-2)10-7-5-6-8-11(10)12(14)13(15)16/h5-9,12H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyACNGPTYCHQEOFX-UHFFFAOYSA-N
XLogP2.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-pentan-3-ylphenyl)propanoic acid
CID 115006048
(2R)-2-amino-2-(2-methylsulfanylphenyl)acetic acid
CID 130742230
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
2-amino-2-(2-tert-butylphenyl)acetic acid
CID 77127946
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
(2S)-2-amino-2-(3-chloro-2-ethylphenyl)acetic acid
CID 130641092
2-amino-2-[2-(2-hydroxy-2-methylpropyl)phenyl]acetic acid
CID 117115041
2-amino-2-(2-ethylfuran-3-yl)acetic acid
CID 55295015
2-(2-acetamidophenyl)-2-aminoacetic acid
CID 21317152
sodium;2-amino-2-(2-fluorophenyl)acetic acid;hydride
CID 173282392
2-amino-2-[2-(cyanomethyl)phenyl]acetic acid
CID 55272286
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-pentan-3-ylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(2-pentan-3-ylphenyl)acetic acid (CID 83838407) is 2-amino-2-(2-pentan-3-ylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(2-pentan-3-ylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(2-pentan-3-ylphenyl)acetic acid is CCC(CC)c1ccccc1C(N)C(=O)O.
What is the InChIKey of 2-amino-2-(2-pentan-3-ylphenyl)acetic acid?
The InChIKey is ACNGPTYCHQEOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-9(4-2)10-7-5-6-8-11(10)12(14)13(15)16/h5-9,12H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-2-(2-pentan-3-ylphenyl)acetic acid?
2-amino-2-(2-pentan-3-ylphenyl)acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-pentan-3-ylphenyl)acetic acid is sourced from PubChem (CID 83838407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).