2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid

C16H24N2O3 — CID 63064671

IUPAC2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)10-18(12-16(20)21)11-15(19)17-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYYRJXQGFFXVSMZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.39
Rot. Bonds9

About 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid

2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid (PubChem CID 63064671) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid
PubChem CID63064671
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-13(2)10-18(12-16(20)21)11-15(19)17-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyYYRJXQGFFXVSMZ-UHFFFAOYSA-N
XLogP1.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
CID 60838463
2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064153
2-[[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63064354
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[ethyl(3-hydroxypropyl)amino]-N-(2-phenylethyl)acetamide
CID 115666394
2-[[2-oxo-2-(3-phenylpropylamino)ethyl]-prop-2-ynylamino]acetic acid
CID 79272687
methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 122198754
(3S)-5-methyl-3-[2-oxo-2-(2-phenylethylamino)ethyl]hexanoic acid
CID 126509470
2-[[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 155996833
2,2-dimethyl-N-(3-methylbutyl)-N'-(2-phenylethyl)propanediamide
CID 108963827
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
3-[acetyl(3-methylbutyl)amino]-N-(2-phenylethyl)propanamide
CID 113122843

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid (CID 63064671) is 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid is CC(C)CN(CC(=O)O)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid?
The InChIKey is YYRJXQGFFXVSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-13(2)10-18(12-16(20)21)11-15(19)17-9-8-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid?
2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid has a molecular weight of 292.38 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 63064671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).