methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

C7H11NO2 — CID 58676556

IUPACmethyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1N=CC[C@H]1C
InChIInChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyQLRMXCAPNSLRQE-PHDIDXHHSA-N
MW141.17 g/mol
LogP0.64
Rot. Bonds1

About methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate

methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (PubChem CID 58676556) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
PubChem CID58676556
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Namemethyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate
SMILESCOC(=O)[C@@H]1N=CC[C@H]1C
InChIInChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1
InChIKeyQLRMXCAPNSLRQE-PHDIDXHHSA-N
XLogP0.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91819834
CID 91819834
CID 122203370
CID 122203370
CID 14102690
CID 14102690
CID 67446336
CID 67446336
CID 89544036
CID 89544036
CID 91819835
CID 91819835
CID 11744877
CID 11744877
CID 14102691
CID 14102691
CID 53758554
CID 53758554
CID 56978658
CID 56978658
CID 58676550
CID 58676550
CID 72965039
CID 72965039

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate (CID 58676556) is methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is COC(=O)[C@@H]1N=CC[C@H]1C.
What is the InChIKey of methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
The InChIKey is QLRMXCAPNSLRQE-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5-3-4-8-6(5)7(9)10-2/h4-6H,3H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate?
methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate has a molecular weight of 141.17 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate is sourced from PubChem (CID 58676556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).