2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid

C15H22N2O3 — CID 60838463

IUPAC2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)17(11-15(19)20)10-14(18)16-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZZNZYPRAAZNXFR-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.14
Rot. Bonds8

About 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid

2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid (PubChem CID 60838463) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
PubChem CID60838463
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)CC(=O)NCCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-12(2)17(11-15(19)20)10-14(18)16-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyZZNZYPRAAZNXFR-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[2-oxo-2-(2-phenylethylamino)ethyl]amino]acetic acid
CID 63064671
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 122198754
2-[benzyl(propan-2-yl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 108995244
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
2-methyl-N-(2-phenylethyl)propanamide;dihydrochloride
CID 174557988
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
2-[2-(3-fluorophenyl)ethylcarbamoyl-propan-2-ylamino]acetic acid
CID 61202292
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid (CID 60838463) is 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)CC(=O)NCCc1ccccc1.
What is the InChIKey of 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid?
The InChIKey is ZZNZYPRAAZNXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12(2)17(11-15(19)20)10-14(18)16-9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid?
2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2-phenylethylamino)ethyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 60838463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).