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

C14H21NO4 — CID 151837397

IUPAC2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OCCOc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-9-8-18-11-6-4-10(5-7-11)12(15)13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)
InChIKeySFYGLBFERSUDNT-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.96
Rot. Bonds6

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

2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid (PubChem CID 151837397) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
PubChem CID151837397
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
SMILESCC(C)(C)OCCOc1ccc(C(N)C(=O)O)cc1
InChIInChI=1S/C14H21NO4/c1-14(2,3)19-9-8-18-11-6-4-10(5-7-11)12(15)13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17)
InChIKeySFYGLBFERSUDNT-UHFFFAOYSA-N
XLogP1.96
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
(2S)-2-[[(2R)-2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetyl]amino]-4,4-dimethylpentanoic acid
CID 68620433
(1S)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 113355509
(1R)-1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-amine
CID 103939568
2-amino-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetic acid
CID 77128830
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
(Z)-5-[4-[amino(carboxy)methyl]phenoxy]-2-hydroxypent-2-enoic acid
CID 66513140
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
2-amino-2-[4-(2,2-difluoroethoxy)phenyl]acetic acid
CID 84794175
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid (CID 151837397) is 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid is CC(C)(C)OCCOc1ccc(C(N)C(=O)O)cc1.
What is the InChIKey of 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid?
The InChIKey is SFYGLBFERSUDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2,3)19-9-8-18-11-6-4-10(5-7-11)12(15)13(16)17/h4-7,12H,8-9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid?
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid is sourced from PubChem (CID 151837397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).