2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid

C17H26N2O3 — CID 122120150

IUPAC2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-12(2)16(14-8-6-5-7-9-14)18-15(20)11-19(4)10-13(3)17(21)22/h5-9,12-13,16H,10-11H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyCNXNLJBSEGQFJB-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.15
Rot. Bonds8

About 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid

2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid (PubChem CID 122120150) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
PubChem CID122120150
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid
SMILESCC(CN(C)CC(=O)NC(c1ccccc1)C(C)C)C(=O)O
InChIInChI=1S/C17H26N2O3/c1-12(2)16(14-8-6-5-7-9-14)18-15(20)11-19(4)10-13(3)17(21)22/h5-9,12-13,16H,10-11H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyCNXNLJBSEGQFJB-UHFFFAOYSA-N
XLogP2.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxybutyl(methyl)amino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 111488794
2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methyl-1-phenylpropyl)acetamide
CID 24566119
3-[[2-[[(3-chlorophenyl)-phenylmethyl]amino]-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 122120208
2-methyl-3-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]propanoic acid
CID 122120087
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
2-(methylamino)-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119693512
2-amino-N-(2-methyl-1-phenylpropyl)acetamide;hydrochloride
CID 119273385
N-[(1R)-2-methyl-1-phenylpropyl]-2-(4-phenylphenyl)acetamide
CID 2215611
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-fluorophenyl)-2-methylpropyl]acetamide
CID 46404131
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-phenylbutanamide
CID 46828416
2-(2-hydroxyphenoxy)-N-(2-methyl-1-phenylpropyl)acetamide
CID 78813413

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid (CID 122120150) is 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid is CC(CN(C)CC(=O)NC(c1ccccc1)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is CNXNLJBSEGQFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12(2)16(14-8-6-5-7-9-14)18-15(20)11-19(4)10-13(3)17(21)22/h5-9,12-13,16H,10-11H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid?
2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 306.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[2-[(2-methyl-1-phenylpropyl)amino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122120150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).