2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid

C14H19NO3 — CID 115141371

IUPAC2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
SMILESCC(C)Cc1ccc(CN(C)C(=O)C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)8-11-4-6-12(7-5-11)9-15(3)13(16)14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyRTGOBVXMFXKARN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.93
Rot. Bonds4

About 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid

2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid (PubChem CID 115141371) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
PubChem CID115141371
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid
SMILESCC(C)Cc1ccc(CN(C)C(=O)C(=O)O)cc1
InChIInChI=1S/C14H19NO3/c1-10(2)8-11-4-6-12(7-5-11)9-15(3)13(16)14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18)
InChIKeyRTGOBVXMFXKARN-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[4-(2-methylpropyl)phenyl]methyl]-2-oxopropanamide
CID 115175745
2-hydroxy-N,2-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 115178830
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoacetic acid
CID 115141410
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]ethanol
CID 110921350
[4-[(dimethylamino)methyl]phenyl]methyl-methylcarbamic acid
CID 170154871
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N-methyl-N-(2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78853378
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
1-methyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 86999519
2-[(4-methoxy-3-methylphenyl)methyl-methylamino]-2-oxoacetic acid
CID 82129654
N-(bromomethyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]methanamine
CID 115262015

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid (CID 115141371) is 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid is CC(C)Cc1ccc(CN(C)C(=O)C(=O)O)cc1.
What is the InChIKey of 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid?
The InChIKey is RTGOBVXMFXKARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)8-11-4-6-12(7-5-11)9-15(3)13(16)14(17)18/h4-7,10H,8-9H2,1-3H3,(H,17,18).
What are the key properties of 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid?
2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[4-(2-methylpropyl)phenyl]methyl]amino]-2-oxoacetic acid is sourced from PubChem (CID 115141371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).