(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid

C12H18N2O6 — CID 107831330

IUPAC(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H18N2O6/c15-9-5-4-7(6-13-9)11(18)14-8(12(19)20)2-1-3-10(16)17/h7-8H,1-6H2,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t7?,8-/m1/s1
InChIKeyPZPWKRRMPWTQIE-BRFYHDHCSA-N
MW286.28 g/mol
LogP-0.66
Rot. Bonds7

About (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid

(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid (PubChem CID 107831330) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
PubChem CID107831330
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)C1CCC(=O)NC1)C(=O)O
InChIInChI=1S/C12H18N2O6/c15-9-5-4-7(6-13-9)11(18)14-8(12(19)20)2-1-3-10(16)17/h7-8H,1-6H2,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t7?,8-/m1/s1
InChIKeyPZPWKRRMPWTQIE-BRFYHDHCSA-N
XLogP-0.66
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.66
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
(2S)-5-amino-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 83191997
4-methylsulfonyl-2-[(6-oxopiperidine-3-carbonyl)amino]butanoic acid
CID 83193550
(2S)-5-ethoxy-5-oxo-2-[(6-oxopiperidine-3-carbonyl)amino]pentanoic acid
CID 107039270
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053
(2R)-2-(cyclooctanecarbonylamino)hexanedioic acid
CID 107831603
(2S)-5-methoxy-5-oxo-2-[(5-oxopyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107820415
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
(2R)-2-[(3-aminocyclopentanecarbonyl)amino]hexanedioic acid
CID 107835514
2-methyl-3-[(6-oxopiperidine-3-carbonyl)amino]propanoic acid
CID 83192791
(2S,3S)-3-methyl-2-[[(3R)-6-oxopiperidine-3-carbonyl]amino]pentanoic acid
CID 129380712

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid?
The IUPAC name of (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid (CID 107831330) is (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)C1CCC(=O)NC1)C(=O)O.
What is the InChIKey of (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid?
The InChIKey is PZPWKRRMPWTQIE-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H18N2O6/c15-9-5-4-7(6-13-9)11(18)14-8(12(19)20)2-1-3-10(16)17/h7-8H,1-6H2,(H,13,15)(H,14,18)(H,16,17)(H,19,20)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid?
(2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid has a molecular weight of 286.28 g/mol, XLogP of -0.66, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-oxopiperidine-3-carbonyl)amino]hexanedioic acid is sourced from PubChem (CID 107831330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).