2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid

C15H21NO5 — CID 107832254

IUPAC2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
SMILESCC(C)c1ccccc1OCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(2)11-5-3-4-6-13(11)21-9-14(18)16-8-7-12(17)15(19)20/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPTCUXLMTYPRQLY-UHFFFAOYSA-N
MW295.33 g/mol
LogP1.14
Rot. Bonds8

About 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid

2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid (PubChem CID 107832254) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
PubChem CID107832254
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Name2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid
SMILESCC(C)c1ccccc1OCC(=O)NCCC(O)C(=O)O
InChIInChI=1S/C15H21NO5/c1-10(2)11-5-3-4-6-13(11)21-9-14(18)16-8-7-12(17)15(19)20/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyPTCUXLMTYPRQLY-UHFFFAOYSA-N
XLogP1.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic 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-hydroxy-4-[[2-(2-methoxyphenoxy)acetyl]amino]butanoic acid
CID 107831912
2-(2-propan-2-ylphenoxy)-N-[8-[[2-(2-propan-2-ylphenoxy)acetyl]amino]octyl]acetamide
CID 17233327
2-[2-[(1R)-1-hydroxyethyl]phenoxy]-N-(3-methylbutyl)acetamide
CID 63364835
2-[2-(1-hydroxyethyl)phenoxy]-N-(3-methylbutyl)acetamide
CID 61486616
N-(6-hydroxyhexyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103919361
2-[2-(1-hydroxyethyl)phenoxy]-N-propylacetamide
CID 43503995
(2S)-4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2-hydroxybutanoic acid
CID 107834053
N-[2-(3-chlorophenyl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 39731176
N-(2-hydroxy-4-methylpentyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103771540
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-(2-chloroprop-2-enyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 113238561
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid (CID 107832254) is 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid is CC(C)c1ccccc1OCC(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid?
The InChIKey is PTCUXLMTYPRQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-10(2)11-5-3-4-6-13(11)21-9-14(18)16-8-7-12(17)15(19)20/h3-6,10,12,17H,7-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid?
2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid has a molecular weight of 295.33 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]butanoic acid is sourced from PubChem (CID 107832254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).