2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid

C15H21NO5 — CID 100696982

IUPAC2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
SMILESCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-4-9-15(2,20-3)14(19)16-11-5-7-12(8-6-11)21-10-13(17)18/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)/t15-/m1/s1
InChIKeyYLVCROYUHZSKSG-OAHLLOKOSA-N
MW295.34 g/mol
LogP2.29
Rot. Bonds8

About 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid

2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid (PubChem CID 100696982) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
PubChem CID100696982
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
SMILESCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C15H21NO5/c1-4-9-15(2,20-3)14(19)16-11-5-7-12(8-6-11)21-10-13(17)18/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)/t15-/m1/s1
InChIKeyYLVCROYUHZSKSG-OAHLLOKOSA-N
XLogP2.29
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 100697214
(2S)-2-methoxy-2-methyl-N-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 100697054
N-[4-(2-ethoxyethoxy)phenyl]-2-methoxy-2-methylpentanamide
CID 133245970
(2R)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylheptanamide
CID 100701491
2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
CID 100737138
2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
N-[4-[3-(diethylamino)propoxy]phenyl]-2-methoxy-2-methylpentanamide
CID 133245961
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-methoxy-2-methylbutanamide
CID 133245864
N-[4-(2-bromoethoxy)phenyl]-2-methoxy-2-methylhexanamide
CID 133246014

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid (CID 100696982) is 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid is CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid?
The InChIKey is YLVCROYUHZSKSG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-9-15(2,20-3)14(19)16-11-5-7-12(8-6-11)21-10-13(17)18/h5-8H,4,9-10H2,1-3H3,(H,16,19)(H,17,18)/t15-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid?
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 100696982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).