(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid

C11H17N3O5 — CID 83191997

IUPAC(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H17N3O5/c12-8(15)3-2-7(11(18)19)14-10(17)6-1-4-9(16)13-5-6/h6-7H,1-5H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t6?,7-/m0/s1
InChIKeyJEUMCCQFZLKZJC-MLWJPKLSSA-N
MW271.27 g/mol
LogP-1.65
Rot. Bonds6

About (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid

(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid (PubChem CID 83191997) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
PubChem CID83191997
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
SMILESNC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C11H17N3O5/c12-8(15)3-2-7(11(18)19)14-10(17)6-1-4-9(16)13-5-6/h6-7H,1-5H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t6?,7-/m0/s1
InChIKeyJEUMCCQFZLKZJC-MLWJPKLSSA-N
XLogP-1.65
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-oxopiperidine-3-carbonyl)amino]pentanedioic acid
CID 83193700
(2R)-4-hydroxy-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 107822931
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
CID 107831330
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
5-amino-5-oxo-2-[(5-oxopiperazine-2-carbonyl)amino]pentanoic acid
CID 107435545
5-amino-5-oxo-2-(piperidine-3-carbonylamino)pentanoic acid
CID 61157039
5-amino-2-[[5-amino-5-oxo-2-[(5-oxopyrrolidine-2-carbonyl)amino]pentanoyl]amino]-5-oxopentanoic acid
CID 75097643
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
5-amino-2-(cyclopent-3-ene-1-carbonylamino)-5-oxopentanoic acid
CID 64766554
5-amino-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-oxopentanoic acid
CID 43358672

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid (CID 83191997) is (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid is NC(=O)CC[C@H](NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is JEUMCCQFZLKZJC-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H17N3O5/c12-8(15)3-2-7(11(18)19)14-10(17)6-1-4-9(16)13-5-6/h6-7H,1-5H2,(H2,12,15)(H,13,16)(H,14,17)(H,18,19)/t6?,7-/m0/s1.
What are the key properties of (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid?
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 271.27 g/mol, XLogP of -1.65, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 83191997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).