4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid

C17H20N2O7 — CID 15435123

IUPAC4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O
InChIInChI=1S/C17H20N2O7/c20-14(11-26-19-8-4-7-15(19)21)13(9-16(22)23)18-17(24)25-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,24)(H,22,23)
InChIKeyFTVMJSPOTNPNDW-UHFFFAOYSA-N
MW364.35 g/mol
LogP0.88
Rot. Bonds9

About 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid

4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 15435123) has the molecular formula C17H20N2O7 and a molecular weight of 364.35 g/mol. Its IUPAC name is 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID15435123
Molecular FormulaC17H20N2O7
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O
InChIInChI=1S/C17H20N2O7/c20-14(11-26-19-8-4-7-15(19)21)13(9-16(22)23)18-17(24)25-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,24)(H,22,23)
InChIKeyFTVMJSPOTNPNDW-UHFFFAOYSA-N
XLogP0.88
TPSA122.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyloxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 70083852
4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 155286862
4-oxo-3-(phenylmethoxycarbonylamino)-4-pyrrolidin-1-ylbutanoic acid
CID 156690866
(3S)-4-oxo-3-(phenylmethoxycarbonylamino)-4-piperidin-1-ylbutanoic acid
CID 70003305
5-[methyl-(2-phenylacetyl)amino]oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 54012511
methyl (2S)-2-[[(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-3-(2-oxopyrrolidin-1-yl)propanoate
CID 10721962
(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 10903400
4-oxo-5-(2-phenylethylamino)-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 141007109
5-(3-anilino-3-phenylpropanoyl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 54381028
[(3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] acetate
CID 139854749
(2,5-dioxopyrrolidin-1-yl) (2S)-4-[[(3S)-4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxo-3-(phenylmethoxycarbonylamino)butyl]disulfanyl]-2-(phenylmethoxycarbonylamino)butanoate
CID 59961311
(3S)-4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 102601946

Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 15435123) is 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid is O=C(O)CC(NC(=O)OCc1ccccc1)C(=O)CON1CCCC1=O.
What is the InChIKey of 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is FTVMJSPOTNPNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O7/c20-14(11-26-19-8-4-7-15(19)21)13(9-16(22)23)18-17(24)25-10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2,(H,18,24)(H,22,23).
What are the key properties of 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 364.35 g/mol, XLogP of 0.88, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-(2-oxopyrrolidin-1-yl)oxy-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 15435123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).