2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid

C15H21NO4 — CID 62819149

IUPAC2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
SMILESCc1cccc(OCCC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(10-11)20-9-8-13(17)16(4)15(2,3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,18,19)
InChIKeyRBIZFCNRTDUPKZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.09
Rot. Bonds6

About 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid

2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid (PubChem CID 62819149) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
PubChem CID62819149
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid
SMILESCc1cccc(OCCC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C15H21NO4/c1-11-6-5-7-12(10-11)20-9-8-13(17)16(4)15(2,3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,18,19)
InChIKeyRBIZFCNRTDUPKZ-UHFFFAOYSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(3,5-dimethylphenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62818293
2-[3-(3-chlorophenoxy)propanoyl-methylamino]-2-methylpropanoic acid
CID 62817951
N,N-dimethyl-3-(3-methylphenoxy)propanamide
CID 60637097
2,2-dimethyl-4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 65302126
N-(2-aminoethyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 55149658
N,2,2-trimethyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 60676012
1-hydroxy-4-(3-methylphenoxy)butan-2-one
CID 95437359
N-(4-aminophenyl)-N-methyl-3-(3-methylphenoxy)propanamide
CID 28894175
2-[3-(3-chlorophenoxy)propanoyl-ethylamino]-2-methylpropanoic acid
CID 62817704
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
2,2-dimethyl-3-[2-(3-methylphenoxy)ethylamino]propanoic acid
CID 79624459
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid (CID 62819149) is 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid is Cc1cccc(OCCC(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid?
The InChIKey is RBIZFCNRTDUPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-5-7-12(10-11)20-9-8-13(17)16(4)15(2,3)14(18)19/h5-7,10H,8-9H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid?
2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[3-(3-methylphenoxy)propanoyl]amino]propanoic acid is sourced from PubChem (CID 62819149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).