2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

C16H24N2O3 — CID 63064153

IUPAC2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(CNC(=O)CN(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)9-18(11-16(20)21)10-15(19)17-8-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyXJKUYZAGZNFOHA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.65
Rot. Bonds8

About 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid

2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63064153) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63064153
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
SMILESCc1ccc(CNC(=O)CN(CC(=O)O)CC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-12(2)9-18(11-16(20)21)10-15(19)17-8-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyXJKUYZAGZNFOHA-UHFFFAOYSA-N
XLogP1.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
3-[ethyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]butanoic acid
CID 62827811
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
CID 60988089
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745
3-[[2-(benzylamino)-2-oxoethyl]-(2-hydroxypropyl)amino]propanoic acid
CID 82326877
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
2-[(4-ethylphenyl)methylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 103995670
2-[methyl-[(1R)-1-(1-methylcyclopropyl)ethyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 95974994
N',N'-diethyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945744
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-[3-[[2-(benzylamino)-2-oxoethyl]-[2-[bis(carboxymethyl)amino]ethyl]amino]propyl-(carboxymethyl)amino]acetic acid
CID 102214545

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid (CID 63064153) is 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is Cc1ccc(CNC(=O)CN(CC(=O)O)CC(C)C)cc1.
What is the InChIKey of 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is XJKUYZAGZNFOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)9-18(11-16(20)21)10-15(19)17-8-14-6-4-13(3)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).