6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid

C11H18N2O4 — CID 55033636

IUPAC6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCCNC1=O
InChIInChI=1S/C11H18N2O4/c14-9(5-1-2-6-10(15)16)13-8-4-3-7-12-11(8)17/h8H,1-7H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeySZPBCOSFBZOBEA-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.03
Rot. Bonds6

About 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid

6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid (PubChem CID 55033636) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
PubChem CID55033636
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
SMILESO=C(O)CCCCC(=O)NC1CCCNC1=O
InChIInChI=1S/C11H18N2O4/c14-9(5-1-2-6-10(15)16)13-8-4-3-7-12-11(8)17/h8H,1-7H2,(H,12,17)(H,13,14)(H,15,16)
InChIKeySZPBCOSFBZOBEA-UHFFFAOYSA-N
XLogP0.03
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
3-(tert-butylamino)-N-(2-oxopiperidin-3-yl)propanamide
CID 55033831
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
N-(2-oxopiperidin-3-yl)-3-piperidin-2-ylpropanamide
CID 62211506
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
CID 84599618
2-[2-oxo-2-[(2-oxoazepan-3-yl)amino]ethyl]sulfanylacetic acid
CID 2813122
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083

Frequently Asked Questions

What is the IUPAC name of 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid?
The IUPAC name of 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid (CID 55033636) is 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid.
What is the SMILES notation for 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid?
The canonical SMILES for 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid is O=C(O)CCCCC(=O)NC1CCCNC1=O.
What is the InChIKey of 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid?
The InChIKey is SZPBCOSFBZOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c14-9(5-1-2-6-10(15)16)13-8-4-3-7-12-11(8)17/h8H,1-7H2,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid?
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid has a molecular weight of 242.27 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid is sourced from PubChem (CID 55033636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).