methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate

C10H17NO2 — CID 124547745

IUPACmethyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1([C@@H]2CCCNC2)CC1
InChIInChI=1S/C10H17NO2/c1-13-9(12)10(4-5-10)8-3-2-6-11-7-8/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyVJOQKZVTOHMFOC-MRVPVSSYSA-N
MW183.25 g/mol
LogP0.94
Rot. Bonds2

About methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate

methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate (PubChem CID 124547745) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
PubChem CID124547745
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1([C@@H]2CCCNC2)CC1
InChIInChI=1S/C10H17NO2/c1-13-9(12)10(4-5-10)8-3-2-6-11-7-8/h8,11H,2-7H2,1H3/t8-/m1/s1
InChIKeyVJOQKZVTOHMFOC-MRVPVSSYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (1S,6S)-3-azabicyclo[4.1.0]heptane-6-carboxylate;hydrochloride
CID 135382656
3-fluoro-3-methyl-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115029169
methyl (1R)-3-azabicyclo[3.1.0]hexane-1-carboxylate;hydrochloride
CID 140675446
3,3-difluoro-1-piperidin-3-ylcyclobutane-1-carboxylic acid
CID 115031189
methyl 1-(thiolan-3-yl)cyclopropane-1-carboxylate
CID 176838404
1-piperidin-3-ylcyclopropan-1-ol;hydrochloride
CID 127264219
1-cyclohexyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide;ethane
CID 91284589
3-[2-(methoxymethyl)pyrrolidin-2-yl]piperidine
CID 117271846
methyl 3-cyclobutyloxetane-3-carboxylate
CID 116873575
methyl (3S)-piperidine-3-carboxylate;hydrochloride
CID 57345867
methyl 1-[4-(5-hydroxypiperidin-2-yl)cyclohexyl]cyclopropane-1-carboxylate
CID 134372684
methyl 3-cyclohexyl-7,8-dioxatricyclo[4.1.1.01,6]octane-3-carboxylate
CID 87200807

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate (CID 124547745) is methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate is COC(=O)C1([C@@H]2CCCNC2)CC1.
What is the InChIKey of methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate?
The InChIKey is VJOQKZVTOHMFOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9(12)10(4-5-10)8-3-2-6-11-7-8/h8,11H,2-7H2,1H3/t8-/m1/s1.
What are the key properties of methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate?
methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3S)-piperidin-3-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 124547745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).