5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid

C13H18N4O4 — CID 61204807

IUPAC5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)NCCc1ccncc1)C(=O)O
InChIInChI=1S/C13H18N4O4/c14-11(18)2-1-10(12(19)20)17-13(21)16-8-5-9-3-6-15-7-4-9/h3-4,6-7,10H,1-2,5,8H2,(H2,14,18)(H,19,20)(H2,16,17,21)
InChIKeyNYIFXSFMSJHOIA-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.36
Rot. Bonds8

About 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid

5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid (PubChem CID 61204807) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
PubChem CID61204807
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)NCCc1ccncc1)C(=O)O
InChIInChI=1S/C13H18N4O4/c14-11(18)2-1-10(12(19)20)17-13(21)16-8-5-9-3-6-15-7-4-9/h3-4,6-7,10H,1-2,5,8H2,(H2,14,18)(H,19,20)(H2,16,17,21)
InChIKeyNYIFXSFMSJHOIA-UHFFFAOYSA-N
XLogP-0.36
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
(2S)-5-amino-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 65231156
(2S)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 78967885
(2R)-2-(2-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 54991048
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2S)-5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 80683623
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
(2S)-2-hydroxy-4-(2-pyridin-4-ylethylcarbamoylamino)butanoic acid
CID 107838621
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
(2S)-5-amino-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 103994434
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid (CID 61204807) is 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid is NC(=O)CCC(NC(=O)NCCc1ccncc1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
The InChIKey is NYIFXSFMSJHOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c14-11(18)2-1-10(12(19)20)17-13(21)16-8-5-9-3-6-15-7-4-9/h3-4,6-7,10H,1-2,5,8H2,(H2,14,18)(H,19,20)(H2,16,17,21).
What are the key properties of 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid?
5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid has a molecular weight of 294.31 g/mol, XLogP of -0.36, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 61204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).