5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid

C11H19N3O4 — CID 61157039

IUPAC5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)7-2-1-5-13-6-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeySYEUUXMDNQWJSU-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.18
Rot. Bonds6

About 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid

5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid (PubChem CID 61157039) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
PubChem CID61157039
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
SMILESNC(=O)CCC(NC(=O)C1CCCNC1)C(=O)O
InChIInChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)7-2-1-5-13-6-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18)
InChIKeySYEUUXMDNQWJSU-UHFFFAOYSA-N
XLogP-1.18
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
4-methylsulfanyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 61158625
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid?
The IUPAC name of 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid (CID 61157039) is 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid?
The canonical SMILES for 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid is NC(=O)CCC(NC(=O)C1CCCNC1)C(=O)O.
What is the InChIKey of 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid?
The InChIKey is SYEUUXMDNQWJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c12-9(15)4-3-8(11(17)18)14-10(16)7-2-1-5-13-6-7/h7-8,13H,1-6H2,(H2,12,15)(H,14,16)(H,17,18).
What are the key properties of 5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid?
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid has a molecular weight of 257.29 g/mol, XLogP of -1.18, 6 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-(piperidine-3-carbonylamino)pentanoic acid is sourced from PubChem (CID 61157039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).