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

C14H20N2O3 — CID 60988089

IUPAC3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CNC(=O)CN(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-11-3-5-12(6-4-11)9-15-13(17)10-16(2)8-7-14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyADPFAJPNGBZLME-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.02
Rot. Bonds7

About 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid

3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 60988089) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID60988089
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid
SMILESCc1ccc(CNC(=O)CN(C)CCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-11-3-5-12(6-4-11)9-15-13(17)10-16(2)8-7-14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyADPFAJPNGBZLME-UHFFFAOYSA-N
XLogP1.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid;hydrochloride
CID 119911397
N-methyl-4-[[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]methyl]benzamide
CID 42540138
3-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119912328
3-[(4-methylphenyl)methylcarbamoyl-propan-2-ylamino]propanoic acid
CID 61190416
2-[acetyl-[(4-methylphenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 113161771
methyl 2-methyl-3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoate
CID 60966133
N-[(4-methylphenyl)methyl]butanamide
CID 835678
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064153
3-[methyl-[2-(4-methylphenyl)-2-oxoethyl]amino]propanoic acid
CID 82136245
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 62014386
N-[(4-methylphenyl)methyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 26512957
2-[azetidin-3-yl(methyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 66185745

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid (CID 60988089) is 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid is Cc1ccc(CNC(=O)CN(C)CCC(=O)O)cc1.
What is the InChIKey of 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is ADPFAJPNGBZLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-3-5-12(6-4-11)9-15-13(17)10-16(2)8-7-14(18)19/h3-6H,7-10H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid?
3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 60988089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).