2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid

C17H25NO5 — CID 11267266

IUPAC2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid
SMILESCC(C)c1cccc(C(C)C)c1OCOC(=O)CC(N)C(=O)O
InChIInChI=1S/C17H25NO5/c1-10(2)12-6-5-7-13(11(3)4)16(12)23-9-22-15(19)8-14(18)17(20)21/h5-7,10-11,14H,8-9,18H2,1-4H3,(H,20,21)
InChIKeyICNVHVMABWZFFQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.61
Rot. Bonds8

About 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid

2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid (PubChem CID 11267266) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid
PubChem CID11267266
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid
SMILESCC(C)c1cccc(C(C)C)c1OCOC(=O)CC(N)C(=O)O
InChIInChI=1S/C17H25NO5/c1-10(2)12-6-5-7-13(11(3)4)16(12)23-9-22-15(19)8-14(18)17(20)21/h5-7,10-11,14H,8-9,18H2,1-4H3,(H,20,21)
InChIKeyICNVHVMABWZFFQ-UHFFFAOYSA-N
XLogP2.61
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic 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-(1-cyclopropylethyl)-6-propan-2-ylphenoxy]methyl 3-aminopropanoate
CID 174823269
[2-[(1R)-1-cyclopropylethyl]-6-propan-2-ylphenoxy]methyl (2S)-2-amino-4-methylpentanoate;2,2,2-trifluoroacetic acid
CID 118899026
bis((2S)-2-amino-3-[2,6-di(propan-2-yl)phenoxy]carbonyloxypropanoic acid);methanesulfonic acid;hydrochloride
CID 160650244
2-amino-4-(2-propan-2-ylphenoxy)butanoic acid
CID 63039168
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
1-[2,6-di(propan-2-yl)phenoxy]butan-2-one
CID 62039580
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
3-[2,6-di(propan-2-yl)phenoxy]-2,2-dimethylpropanehydrazide
CID 79629145
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
2-amino-5-(2,6-diethoxyphenyl)-4-methylhexanoic acid
CID 174512911
[2-(1-cyclopropylethyl)-6-propan-2-ylphenoxy]methyl pyrrolidine-3-carboxylate
CID 123808598
(2S)-2-amino-4-methoxy-4-oxobutanoic acid;palladium
CID 87358992

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid?
The IUPAC name of 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid (CID 11267266) is 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid.
What is the SMILES notation for 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid?
The canonical SMILES for 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid is CC(C)c1cccc(C(C)C)c1OCOC(=O)CC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid?
The InChIKey is ICNVHVMABWZFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-10(2)12-6-5-7-13(11(3)4)16(12)23-9-22-15(19)8-14(18)17(20)21/h5-7,10-11,14H,8-9,18H2,1-4H3,(H,20,21).
What are the key properties of 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid?
2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[2,6-di(propan-2-yl)phenoxy]methoxy]-4-oxobutanoic acid is sourced from PubChem (CID 11267266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).