2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid

C14H20N2O3 — CID 43442483

IUPAC2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESCc1ccccc1C(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)11(2)15-13(17)8-16(3)9-14(18)19/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCPSNZNMORAKWCM-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.19
Rot. Bonds6

About 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid

2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid (PubChem CID 43442483) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
PubChem CID43442483
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid
SMILESCc1ccccc1C(C)NC(=O)CN(C)CC(=O)O
InChIInChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)11(2)15-13(17)8-16(3)9-14(18)19/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyCPSNZNMORAKWCM-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
2-[1-(2-methylphenyl)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066150
2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
2-[2-hydroxyethyl(propan-2-yl)amino]-N-[1-(2-methylphenyl)ethyl]acetamide
CID 60692471
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
3,3-dimethyl-5-[[(1S)-1-(2-methylphenyl)ethyl]amino]-5-oxopentanoic acid
CID 81373369
2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913472
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 135968817
3-[methyl-[1-[1-(2-methylphenyl)ethylamino]-1-oxopropan-2-yl]amino]propanoic acid
CID 119911517
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid (CID 43442483) is 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid is Cc1ccccc1C(C)NC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid?
The InChIKey is CPSNZNMORAKWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-6-4-5-7-12(10)11(2)15-13(17)8-16(3)9-14(18)19/h4-7,11H,8-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).