2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid

C12H15NO3 — CID 115004692

IUPAC2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CC2COC2)cc1
InChIInChI=1S/C12H15NO3/c13-11(12(14)15)10-3-1-8(2-4-10)5-9-6-16-7-9/h1-4,9,11H,5-7,13H2,(H,14,15)
InChIKeyYZHVJGZDSTZFPJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.96
Rot. Bonds4

About 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid

2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid (PubChem CID 115004692) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid
PubChem CID115004692
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(CC2COC2)cc1
InChIInChI=1S/C12H15NO3/c13-11(12(14)15)10-3-1-8(2-4-10)5-9-6-16-7-9/h1-4,9,11H,5-7,13H2,(H,14,15)
InChIKeyYZHVJGZDSTZFPJ-UHFFFAOYSA-N
XLogP0.96
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-2-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]phenyl]acetic acid
CID 70475085
3-[4-(oxetan-3-ylmethyl)phenyl]propanoic acid
CID 115004684
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
3-[4-[(S)-amino(carboxy)methyl]phenyl]propanoic acid
CID 66512477
3-[4-(oxetan-3-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117401338
2-amino-2-[4-[(benzylamino)methyl]phenyl]acetic acid
CID 22326285
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-[4-(phenylsulfanylmethyl)phenyl]acetic acid
CID 155934555
2-amino-2-[4-(2-methoxypropyl)phenyl]acetic acid
CID 117319672
2-amino-2-[4-(3-hydroxy-3-methylbutyl)phenyl]acetic acid
CID 117115063
2-[4-(oxetan-3-ylmethyl)phenyl]propan-2-amine
CID 115004657

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid (CID 115004692) is 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid is NC(C(=O)O)c1ccc(CC2COC2)cc1.
What is the InChIKey of 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid?
The InChIKey is YZHVJGZDSTZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c13-11(12(14)15)10-3-1-8(2-4-10)5-9-6-16-7-9/h1-4,9,11H,5-7,13H2,(H,14,15).
What are the key properties of 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid?
2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid has a molecular weight of 221.26 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(oxetan-3-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 115004692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).