methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate

C13H20N2O5 — CID 142439218

IUPACmethyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)NCCC2O)CCCC1
InChIInChI=1S/C13H20N2O5/c1-20-12(19)13(5-2-3-6-13)15-11(18)9-8(16)4-7-14-10(9)17/h8-9,16H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyMJHSCJIUYKQTBD-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.91
Rot. Bonds3

About methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 142439218) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID142439218
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Namemethyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2C(=O)NCCC2O)CCCC1
InChIInChI=1S/C13H20N2O5/c1-20-12(19)13(5-2-3-6-13)15-11(18)9-8(16)4-7-14-10(9)17/h8-9,16H,2-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyMJHSCJIUYKQTBD-UHFFFAOYSA-N
XLogP-0.91
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate (CID 142439218) is methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)C2C(=O)NCCC2O)CCCC1.
What is the InChIKey of methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is MJHSCJIUYKQTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-20-12(19)13(5-2-3-6-13)15-11(18)9-8(16)4-7-14-10(9)17/h8-9,16H,2-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 284.31 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-hydroxy-2-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 142439218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).