2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid

C15H23NO2 — CID 114992666

IUPAC2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(NC(C)C(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12(4)16-15(5,14(17)18)13-8-6-11(3)7-9-13/h6-10,12,16H,1-5H3,(H,17,18)
InChIKeyDDBLBZSIVAXVNU-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.93
Rot. Bonds5

About 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid

2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid (PubChem CID 114992666) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
PubChem CID114992666
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(C)(NC(C)C(C)C)C(=O)O)cc1
InChIInChI=1S/C15H23NO2/c1-10(2)12(4)16-15(5,14(17)18)13-8-6-11(3)7-9-13/h6-10,12,16H,1-5H3,(H,17,18)
InChIKeyDDBLBZSIVAXVNU-UHFFFAOYSA-N
XLogP2.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
CID 61024139
2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
2-(4-fluoroanilino)-2-(4-methylphenyl)propanoic acid
CID 60991842
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
2-methyl-2-(3-methylbutan-2-ylamino)propanoic acid
CID 82238205
2-[(1-amino-1-oxopropan-2-yl)amino]-2-pyridin-4-ylpropanoic acid
CID 114990339
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid (CID 114992666) is 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid is Cc1ccc(C(C)(NC(C)C(C)C)C(=O)O)cc1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid?
The InChIKey is DDBLBZSIVAXVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)12(4)16-15(5,14(17)18)13-8-6-11(3)7-9-13/h6-10,12,16H,1-5H3,(H,17,18).
What are the key properties of 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid?
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 114992666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).