methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate

C7H10FNO3 — CID 139201067

IUPACmethyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(F)CCCNC1=O
InChIInChI=1S/C7H10FNO3/c1-12-6(11)7(8)3-2-4-9-5(7)10/h2-4H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyQJAVQWZJPGQBDL-SSDOTTSWSA-N
MW175.16 g/mol
LogP-0.22
Rot. Bonds1

About methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate

methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate (PubChem CID 139201067) has the molecular formula C7H10FNO3 and a molecular weight of 175.16 g/mol. Its IUPAC name is methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate
PubChem CID139201067
Molecular FormulaC7H10FNO3
Molecular Weight175.16 g/mol
Exact Mass175.06
IUPAC Namemethyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(F)CCCNC1=O
InChIInChI=1S/C7H10FNO3/c1-12-6(11)7(8)3-2-4-9-5(7)10/h2-4H2,1H3,(H,9,10)/t7-/m1/s1
InChIKeyQJAVQWZJPGQBDL-SSDOTTSWSA-N
XLogP-0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Carbethoxy-2-piperidone
CID 97773
2-Oxo-3-piperidinecarboxylic acid
CID 12388269
Methyl 6-oxopiperidine-3-carboxylate
CID 568114
Methyl 2-oxopiperidine-3-carboxylate
CID 3981101
Methyl 2,4-dioxopiperidine-3-carboxylate
CID 10997480
Ethyl 3-fluoro-2-oxopiperidine-3-carboxylate
CID 67402659
3-Methyl-2-oxopiperidine-3-carboxylic acid
CID 71326072
Methyl 4-oxopiperidine-3-carboxylate
CID 2724029
Methyl 3-fluoropiperidine-3-carboxylate hydrochloride
CID 155970613
3-Piperidinecarboxylic acid, 3-ethyl-2-oxo-, ethyl ester
CID 10798054
3-Boc-piperidinone
CID 67512109
2-Oxo-5-(trifluoromethyl)piperidine-3-carboxylic acid
CID 43431235

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate?
The IUPAC name of methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate (CID 139201067) is methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate?
The canonical SMILES for methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate is COC(=O)[C@@]1(F)CCCNC1=O.
What is the InChIKey of methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate?
The InChIKey is QJAVQWZJPGQBDL-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H10FNO3/c1-12-6(11)7(8)3-2-4-9-5(7)10/h2-4H2,1H3,(H,9,10)/t7-/m1/s1.
What are the key properties of methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate?
methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate has a molecular weight of 175.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-fluoro-2-oxopiperidine-3-carboxylate is sourced from PubChem (CID 139201067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).