2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid

C12H17NO3 — CID 77128830

IUPAC2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
SMILESCC(C)(C)Oc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15)
InChIKeyXMZUZKSWQRZXIN-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.95
Rot. Bonds3

About 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid

2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid (PubChem CID 77128830) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
PubChem CID77128830
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
SMILESCC(C)(C)Oc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15)
InChIKeyXMZUZKSWQRZXIN-UHFFFAOYSA-N
XLogP1.95
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
tert-butyl (2R)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840712
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]phenyl]-(4-propan-2-ylphenyl)methanone
CID 145003434
tert-butyl (2S)-2-amino-2-(4-methoxyphenyl)acetate
CID 92840713
2-amino-2-phenylacetic acid;benzene
CID 18446848
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
ethyl (3S)-3-amino-2,2-difluoro-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoate
CID 171251286
3-(methylamino)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 112518831
(1S,2R)-1-amino-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]butan-2-ol
CID 171271183

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid (CID 77128830) is 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid is CC(C)(C)Oc1ccc(C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid?
The InChIKey is XMZUZKSWQRZXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)16-9-6-4-8(5-7-9)10(13)11(14)15/h4-7,10H,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid?
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid has a molecular weight of 223.27 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid is sourced from PubChem (CID 77128830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).