3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid

C14H20N2O3 — CID 106312699

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCc1ccc(C(N)C(=O)NC(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-8-4-6-11(7-5-8)12(15)13(17)16-10(3)9(2)14(18)19/h4-7,9-10,12H,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyMYNMZKJZMVGSIF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.22
Rot. Bonds5

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid (PubChem CID 106312699) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
PubChem CID106312699
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid
SMILESCc1ccc(C(N)C(=O)NC(C)C(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-8-4-6-11(7-5-8)12(15)13(17)16-10(3)9(2)14(18)19/h4-7,9-10,12H,15H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyMYNMZKJZMVGSIF-UHFFFAOYSA-N
XLogP1.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2S)-2-amino-2-phenylacetyl]amino]-2-methylbutanoic acid
CID 104898381
2-amino-N-(1,1-dimethoxypropan-2-yl)-2-(4-methylphenyl)acetamide
CID 106312416
2-amino-N-(3-methylpentan-2-yl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667739
(2R)-2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 81357033
2-amino-N-butan-2-yl-2-(4-methylphenyl)acetamide
CID 106151030
2-amino-N-(5-methylhexan-2-yl)-2-(4-methylphenyl)acetamide
CID 106151106
methyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-methylbutanoate
CID 106312267
2-amino-2-(4-methylphenyl)-N-[2-(4-methylphenyl)propyl]acetamide
CID 120668682
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-ethylpropanamide
CID 106151190
2-amino-N-[1-(4-chlorophenyl)-1-methoxypropan-2-yl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668651
(2S)-2-[[2-amino-2-(4-methylphenyl)acetyl]amino]hexanoic acid
CID 106312836
2-amino-2-(4-methylphenyl)-N-(1-methylsulfanylbutan-2-yl)acetamide
CID 106312729

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid (CID 106312699) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid is Cc1ccc(C(N)C(=O)NC(C)C(C)C(=O)O)cc1.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid?
The InChIKey is MYNMZKJZMVGSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-4-6-11(7-5-8)12(15)13(17)16-10(3)9(2)14(18)19/h4-7,9-10,12H,15H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 106312699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).