2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid

C15H22N2O4 — CID 65266651

IUPAC2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,15(3,4)16)13(20)17-10-7-5-6-8-11(10)21-9-12(18)19/h5-8H,9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyOLESMOFZMCFBSD-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.85
Rot. Bonds6

About 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid

2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid (PubChem CID 65266651) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
PubChem CID65266651
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-14(2,15(3,4)16)13(20)17-10-7-5-6-8-11(10)21-9-12(18)19/h5-8H,9,16H2,1-4H3,(H,17,20)(H,18,19)
InChIKeyOLESMOFZMCFBSD-UHFFFAOYSA-N
XLogP1.85
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
CID 103018697
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
2-[2-(2-aminobutanoylamino)phenoxy]acetic acid
CID 63745017
3-amino-2,2,3-trimethyl-N-naphthalen-1-ylbutanamide
CID 65264771
2,2-dimethyl-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 17113228
2-amino-2-methyl-N-(2-propoxyphenyl)propanamide
CID 61265402
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetic acid
CID 63745357
2-[2-[[(2S)-2-amino-4-methylpentanoyl]amino]phenoxy]acetic acid
CID 63746200
2-[3-(2,2-dimethylpropanoylamino)-2-formylphenoxy]acetic acid
CID 21082629

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid (CID 65266651) is 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid is CC(C)(N)C(C)(C)C(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid?
The InChIKey is OLESMOFZMCFBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-14(2,15(3,4)16)13(20)17-10-7-5-6-8-11(10)21-9-12(18)19/h5-8H,9,16H2,1-4H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid?
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 65266651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).