2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid

C14H21NO3 — CID 115127961

IUPAC2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
SMILESCC(C)Oc1ccc(CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)18-12-7-5-11(6-8-12)9-15-14(3,4)13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyIMXRGPZNETVVLB-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid

2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid (PubChem CID 115127961) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
PubChem CID115127961
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
SMILESCC(C)Oc1ccc(CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H21NO3/c1-10(2)18-12-7-5-11(6-8-12)9-15-14(3,4)13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17)
InChIKeyIMXRGPZNETVVLB-UHFFFAOYSA-N
XLogP2.43
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)methylamino]-2-methylpropanoic acid
CID 65263874
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
2,2-dimethyl-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]propanamide
CID 43911226
1-propan-2-yl-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47216205
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
2-[(4-propan-2-yloxyphenyl)methylamino]acetamide
CID 43754691
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
1-(2-methylpropyl)-3-[(4-propan-2-yloxyphenyl)methyl]urea
CID 47024767
N,N'-bis[(4-propan-2-yloxyphenyl)methyl]decanediamide
CID 43911135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid (CID 115127961) is 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid is CC(C)Oc1ccc(CNC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
The InChIKey is IMXRGPZNETVVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)18-12-7-5-11(6-8-12)9-15-14(3,4)13(16)17/h5-8,10,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid?
2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid is sourced from PubChem (CID 115127961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).