2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid

C17H25NO4 — CID 119228819

IUPAC2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)14-7-6-8-15(9-14)22-13(4)16(19)18(5)10-12(3)17(20)21/h6-9,11-13H,10H2,1-5H3,(H,20,21)
InChIKeyYPWHETTVOBDUQO-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.76
Rot. Bonds7

About 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid

2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid (PubChem CID 119228819) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
PubChem CID119228819
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
SMILESCC(CN(C)C(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)O
InChIInChI=1S/C17H25NO4/c1-11(2)14-7-6-8-15(9-14)22-13(4)16(19)18(5)10-12(3)17(20)21/h6-9,11-13H,10H2,1-5H3,(H,20,21)
InChIKeyYPWHETTVOBDUQO-UHFFFAOYSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 111663070
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide
CID 119653171
3-[2-(4-chloro-3-methylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228830
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(3-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119653170
2-[ethyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]acetic acid
CID 119206542
2-phenyl-2-(3-propan-2-ylphenoxy)acetic acid
CID 21063794
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
3-[bis(3-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005019
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 76937574
3-[2-(4-methoxyphenyl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228886
N-(2-hydroxypropyl)-N-methyl-2-(3-propan-2-ylphenoxy)acetamide
CID 55060918
N-(2-amino-2-phenylethyl)-2-(3-propan-2-ylphenoxy)propanamide
CID 119527740

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid (CID 119228819) is 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid is CC(CN(C)C(=O)C(C)Oc1cccc(C(C)C)c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
The InChIKey is YPWHETTVOBDUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-11(2)14-7-6-8-15(9-14)22-13(4)16(19)18(5)10-12(3)17(20)21/h6-9,11-13H,10H2,1-5H3,(H,20,21).
What are the key properties of 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 119228819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).