2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid

C17H27NO2 — CID 61024139

IUPAC2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-12(2)18-17(6,15(19)20)14-10-8-13(9-11-14)16(3,4)5/h8-12,18H,7H2,1-6H3,(H,19,20)
InChIKeyMKJINQHIWRGRDR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.67
Rot. Bonds5

About 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid

2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid (PubChem CID 61024139) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
PubChem CID61024139
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid
SMILESCCC(C)NC(C)(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H27NO2/c1-7-12(2)18-17(6,15(19)20)14-10-8-13(9-11-14)16(3,4)5/h8-12,18H,7H2,1-6H3,(H,19,20)
InChIKeyMKJINQHIWRGRDR-UHFFFAOYSA-N
XLogP3.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-[4-(dimethylamino)phenyl]propanoic acid
CID 54908415
2-(butan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 61024665
2-(butan-2-ylamino)-2-(3-chlorophenyl)propanoic acid
CID 61024539
2-(butan-2-ylamino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 61024544
ethyl 2-(butan-2-ylamino)-2-(4-methylphenyl)propanoate
CID 54907922
2-(butan-2-ylamino)-2-(2,4-dichlorophenyl)propanoic acid
CID 61024255
2-(1-methoxypropan-2-ylamino)-2-pyridin-4-ylpropanoic acid
CID 114990587
2-(4-hydroxyphenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754261
ethyl 2-(butan-2-ylamino)-2-(4-fluorophenyl)propanoate
CID 54907921
ethyl 2-(butan-2-ylamino)-2-(4-methoxyphenyl)propanoate
CID 61025459
2-(3-methylbutan-2-ylamino)-2-(4-methylphenyl)propanoic acid
CID 114992666
2-(butan-2-ylamino)-2-[3-(tetrazol-1-yl)phenyl]propanoic acid
CID 61024143

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid (CID 61024139) is 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid is CCC(C)NC(C)(C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid?
The InChIKey is MKJINQHIWRGRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-7-12(2)18-17(6,15(19)20)14-10-8-13(9-11-14)16(3,4)5/h8-12,18H,7H2,1-6H3,(H,19,20).
What are the key properties of 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid?
2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid has a molecular weight of 277.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(4-tert-butylphenyl)propanoic acid is sourced from PubChem (CID 61024139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).