2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid

C14H21NO2 — CID 54977951

IUPAC2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
SMILESCCC(C)NC(C(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-13(14(16)17)12-8-9(2)6-7-10(12)3/h6-8,11,13,15H,5H2,1-4H3,(H,16,17)
InChIKeyYFMZVEYFLSLPQF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.82
Rot. Bonds5

About 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid

2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid (PubChem CID 54977951) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
PubChem CID54977951
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid
SMILESCCC(C)NC(C(=O)O)c1cc(C)ccc1C
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-13(14(16)17)12-8-9(2)6-7-10(12)3/h6-8,11,13,15H,5H2,1-4H3,(H,16,17)
InChIKeyYFMZVEYFLSLPQF-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(2-ethylphenyl)acetic acid
CID 62414694
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
4-(2,5-dimethylphenyl)-N-ethylpentan-2-amine
CID 64718536
2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
methyl 3-(butan-2-ylamino)-4-(2,4-dimethylphenyl)-4-hydroxybutanoate
CID 82349758
(2S)-2-[1-(2,5-dimethylphenyl)ethylamino]propan-1-ol
CID 103788966
4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
2-(aminomethyl)-3-(2,5-dimethylphenyl)butanoic acid
CID 69267265
N-[1-(2,5-dimethylphenyl)ethyl]-2-phenylbutanamide
CID 17327188
2-cyclopropyl-2-(2,5-dimethylphenyl)acetic acid
CID 82024066

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid?
The IUPAC name of 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid (CID 54977951) is 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid?
The canonical SMILES for 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid is CCC(C)NC(C(=O)O)c1cc(C)ccc1C.
What is the InChIKey of 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid?
The InChIKey is YFMZVEYFLSLPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(4)15-13(14(16)17)12-8-9(2)6-7-10(12)3/h6-8,11,13,15H,5H2,1-4H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid?
2-(butan-2-ylamino)-2-(2,5-dimethylphenyl)acetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.82, 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-(2,5-dimethylphenyl)acetic acid is sourced from PubChem (CID 54977951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).