2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid

C14H20N2O3 — CID 65264174

IUPAC2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CNC(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(17)9-16-14(2,3)13(18)19/h4-7,16H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFWPHIACBIVJSRL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.06
Rot. Bonds6

About 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid

2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 65264174) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID65264174
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CNC(=O)CNC(C)(C)C(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(17)9-16-14(2,3)13(18)19/h4-7,16H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFWPHIACBIVJSRL-UHFFFAOYSA-N
XLogP1.06
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 79812535
2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79790533
2-methyl-2-[[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263467
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 64686332
2-methyl-2-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]propanoic acid
CID 65263855
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65263929
2-(ethylamino)-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 62831732
2-(tert-butylamino)-N-[(4-chlorophenyl)methyl]acetamide
CID 78907391
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-(dimethylsulfamoylamino)-N-[(4-methylphenyl)methyl]acetamide
CID 112992275
2-methyl-2-[(4-phenylphenyl)methylamino]propanoic acid
CID 65265422
2-(2,6-difluoroanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 108997244

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid (CID 65264174) is 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid is Cc1ccc(CNC(=O)CNC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is FWPHIACBIVJSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-4-6-11(7-5-10)8-15-12(17)9-16-14(2,3)13(18)19/h4-7,16H,8-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 65264174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).