2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid

C16H23NO5 — CID 100737138

IUPAC2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H23NO5/c1-4-10-22-16(3,5-2)15(20)17-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t16-/m1/s1
InChIKeyZIEKIXJFXPUPIJ-MRXNPFEDSA-N
MW309.36 g/mol
LogP2.68
Rot. Bonds9

About 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid

2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid (PubChem CID 100737138) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
PubChem CID100737138
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
SMILESCCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C16H23NO5/c1-4-10-22-16(3,5-2)15(20)17-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t16-/m1/s1
InChIKeyZIEKIXJFXPUPIJ-MRXNPFEDSA-N
XLogP2.68
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947
(2S)-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-2-propoxybutanamide
CID 100737175
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)butanamide
CID 100693286
(2R)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]butanamide
CID 100737524
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
N-(4-butoxyphenyl)-2-methoxy-2-methylbutanamide
CID 133245858
(2R)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)butanamide
CID 100777566
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid (CID 100737138) is 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid is CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid?
The InChIKey is ZIEKIXJFXPUPIJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-10-22-16(3,5-2)15(20)17-12-6-8-13(9-7-12)21-11-14(18)19/h6-9H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)/t16-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid?
2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid has a molecular weight of 309.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 100737138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).