3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid

C16H23NO4 — CID 62964902

IUPAC3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
SMILESCc1ccccc1OCCN(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-12(11-16(19)20)10-15(18)17(3)8-9-21-14-7-5-4-6-13(14)2/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyWKTDGHBVNOLJJZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.33
Rot. Bonds8

About 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid

3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid (PubChem CID 62964902) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
PubChem CID62964902
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid
SMILESCc1ccccc1OCCN(C)C(=O)CC(C)CC(=O)O
InChIInChI=1S/C16H23NO4/c1-12(11-16(19)20)10-15(18)17(3)8-9-21-14-7-5-4-6-13(14)2/h4-7,12H,8-11H2,1-3H3,(H,19,20)
InChIKeyWKTDGHBVNOLJJZ-UHFFFAOYSA-N
XLogP2.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(2-chlorophenoxy)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62964900
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
2-[benzenesulfonyl(methyl)amino]-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 55623064
N-[1-[methyl-[2-(2-methylphenoxy)ethyl]amino]-1-oxopropan-2-yl]benzamide
CID 86909740
3-acetamido-N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-thiophen-2-ylpropanamide
CID 42931784
2-[2-(2-methylphenoxy)ethyl-propan-2-ylamino]acetic acid
CID 60838634
2-[3-(2-methylphenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034091
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid (CID 62964902) is 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid is Cc1ccccc1OCCN(C)C(=O)CC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid?
The InChIKey is WKTDGHBVNOLJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(11-16(19)20)10-15(18)17(3)8-9-21-14-7-5-4-6-13(14)2/h4-7,12H,8-11H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid?
3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-[2-(2-methylphenoxy)ethyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 62964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).