2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid

C14H20N2O3 — CID 65350441

IUPAC2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)Cc1cccc(N)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(13(18)19)16-11(17)8-9-5-4-6-10(15)7-9/h4-7,12H,8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGUIIACXYRKQDAS-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.43
Rot. Bonds4

About 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 65350441) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID65350441
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)Cc1cccc(N)c1)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-14(2,3)12(13(18)19)16-11(17)8-9-5-4-6-10(15)7-9/h4-7,12H,8,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGUIIACXYRKQDAS-UHFFFAOYSA-N
XLogP1.43
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94459377
(2S)-2-[[2-(3,4-dimethylphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 62553286
2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanamide
CID 106343741
methyl 2-[[2-(3-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 55083996
(2R)-2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926387
2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467961
2-(3-aminophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)acetamide
CID 113484647
3-[[2-(3-aminophenyl)acetyl]amino]-2-methylpropanoic acid
CID 65349881
3-[[2-(3-aminophenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65350217
(2S)-2-[[2-(5-amino-2-pyridinyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 107338218
2-(3-aminophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 62499193
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 65350441) is 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)Cc1cccc(N)c1)C(=O)O.
What is the InChIKey of 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is GUIIACXYRKQDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)12(13(18)19)16-11(17)8-9-5-4-6-10(15)7-9/h4-7,12H,8,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-aminophenyl)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 65350441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).