2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid

C18H20N4O4 — CID 70137624

IUPAC2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid
SMILESNC(C(=O)O)(C(=O)NCC(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C18H20N4O4/c19-18(17(25)26,13-6-2-1-3-7-13)16(24)22-12-15(23)21-11-9-14-8-4-5-10-20-14/h1-8,10H,9,11-12,19H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyDARGLYPUNKRQGH-UHFFFAOYSA-N
MW356.38 g/mol
LogP-0.20
Rot. Bonds8

About 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid

2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid (PubChem CID 70137624) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid
PubChem CID70137624
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid
SMILESNC(C(=O)O)(C(=O)NCC(=O)NCCc1ccccn1)c1ccccc1
InChIInChI=1S/C18H20N4O4/c19-18(17(25)26,13-6-2-1-3-7-13)16(24)22-12-15(23)21-11-9-14-8-4-5-10-20-14/h1-8,10H,9,11-12,19H2,(H,21,23)(H,22,24)(H,25,26)
InChIKeyDARGLYPUNKRQGH-UHFFFAOYSA-N
XLogP-0.20
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-4-phenoxybenzamide
CID 2549071
4-amino-3,3-dimethyl-N-(2-pyridin-2-ylethyl)butanamide
CID 115157427
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
(2S)-2-amino-N-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]hexanamide
CID 131857193
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N-(2-phenylethyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999079
2-amino-N-[2-oxo-2-(2-phenylethylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 120590847
2-amino-2-methyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 60846982
N-(2-pyridin-2-ylethyl)-2-thiophen-3-ylacetamide
CID 32623668
2-[(1-methylpiperidin-4-yl)amino]-N-(2-pyridin-2-ylethyl)acetamide
CID 143176576
3-(2-hydroxyphenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141809
2-ethyl-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 79804719

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid (CID 70137624) is 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid is NC(C(=O)O)(C(=O)NCC(=O)NCCc1ccccn1)c1ccccc1.
What is the InChIKey of 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid?
The InChIKey is DARGLYPUNKRQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c19-18(17(25)26,13-6-2-1-3-7-13)16(24)22-12-15(23)21-11-9-14-8-4-5-10-20-14/h1-8,10H,9,11-12,19H2,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid?
2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid has a molecular weight of 356.38 g/mol, XLogP of -0.20, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxo-3-[[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 70137624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).