2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid

C17H25NO3 — CID 63703523

IUPAC2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)18(12(3)19)15(16(20)21)13-7-9-14(10-8-13)17(4,5)6/h7-11,15H,1-6H3,(H,20,21)
InChIKeyTXMXSLBKGGEJPB-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.37
Rot. Bonds4

About 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid

2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid (PubChem CID 63703523) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
PubChem CID63703523
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid
SMILESCC(=O)N(C(C)C)C(C(=O)O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H25NO3/c1-11(2)18(12(3)19)15(16(20)21)13-7-9-14(10-8-13)17(4,5)6/h7-11,15H,1-6H3,(H,20,21)
InChIKeyTXMXSLBKGGEJPB-UHFFFAOYSA-N
XLogP3.37
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(propan-2-yl)amino]-2-(4-methylphenyl)acetic acid
CID 63704061
2-[acetyl(propan-2-yl)amino]-2-(4-methylsulfanylphenyl)acetic acid
CID 63704292
2-(4-tert-butylphenyl)-2-[carboxymethyl(methyl)amino]acetic acid
CID 84749156
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]acetic acid
CID 63702709
2-(4-tert-butylphenyl)-2-hydroxyacetic acid
CID 20532744
2-[butyl(ethyl)amino]-2-(4-tert-butylphenyl)acetic acid
CID 84749031
2-[acetyl(propan-2-yl)amino]-2-(1-propan-2-ylpyrazol-4-yl)acetic acid
CID 114075736
magnesium;2-(4-tert-butylphenyl)propanedioic acid;hydride
CID 174967969
2-[acetyl(propan-2-yl)amino]-2-(4-chloro-2-methylphenyl)acetic acid
CID 114075737
2-[4-(1,1-difluoroethyl)phenyl]propanoic acid
CID 84680228
(2R)-2-(4-tert-butylphenyl)-3-hydroxypropanoic acid
CID 129412348

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid (CID 63703523) is 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid is CC(=O)N(C(C)C)C(C(=O)O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid?
The InChIKey is TXMXSLBKGGEJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-11(2)18(12(3)19)15(16(20)21)13-7-9-14(10-8-13)17(4,5)6/h7-11,15H,1-6H3,(H,20,21).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid?
2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid has a molecular weight of 291.39 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(propan-2-yl)amino]-2-(4-tert-butylphenyl)acetic acid is sourced from PubChem (CID 63703523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).