3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid

C15H24N2O2 — CID 115241899

IUPAC3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
SMILESCc1ccc(C(C)(C)CNCC(N)CC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-11-4-6-12(7-5-11)15(2,3)10-17-9-13(16)8-14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyKOSFSZQFUBYWFC-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.66
Rot. Bonds7

About 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid

3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid (PubChem CID 115241899) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid.

Molecular Properties

Compound Name3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
PubChem CID115241899
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
SMILESCc1ccc(C(C)(C)CNCC(N)CC(=O)O)cc1
InChIInChI=1S/C15H24N2O2/c1-11-4-6-12(7-5-11)15(2,3)10-17-9-13(16)8-14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19)
InChIKeyKOSFSZQFUBYWFC-UHFFFAOYSA-N
XLogP1.66
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-[[2-methyl-2-(4-methylphenyl)propyl]amino]propanoic acid
CID 115256315
3-amino-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115241897
4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115218819
N'-[2-methyl-2-(4-methylphenyl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252631
2-methyl-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115220963
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
3-N-[2-(4-bromophenyl)-2-methylpropyl]propane-1,2,3-triamine
CID 115120181
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
1-[2-methyl-2-(4-methylphenyl)propyl]-3-(2-methylpropyl)urea
CID 113214142
[2-methyl-2-(4-methylphenyl)propyl]carbamoylazanide;ruthenium(1+)
CID 142973882
2-acetamido-3-[(2-methyl-2-phenylpropyl)amino]propanoic acid
CID 64582261
2-amino-3-[[2-(2,5-dimethylphenyl)-2-methylpropyl]amino]propan-1-ol
CID 115121019

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid?
The IUPAC name of 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid (CID 115241899) is 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid.
What is the SMILES notation for 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid?
The canonical SMILES for 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid is Cc1ccc(C(C)(C)CNCC(N)CC(=O)O)cc1.
What is the InChIKey of 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid?
The InChIKey is KOSFSZQFUBYWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11-4-6-12(7-5-11)15(2,3)10-17-9-13(16)8-14(18)19/h4-7,13,17H,8-10,16H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid?
3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid has a molecular weight of 264.37 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid is sourced from PubChem (CID 115241899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).