methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate

C10H17NO2 — CID 155937024

IUPACmethyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate
SMILESCOC(=O)CCCC1=N[C@H](C)CC1
InChIInChI=1S/C10H17NO2/c1-8-6-7-9(11-8)4-3-5-10(12)13-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyFXEMDRYMBIUZGM-MRVPVSSYSA-N
MW183.25 g/mol
LogP1.95
Rot. Bonds4

About methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate

methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate (PubChem CID 155937024) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate
PubChem CID155937024
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate
SMILESCOC(=O)CCCC1=N[C@H](C)CC1
InChIInChI=1S/C10H17NO2/c1-8-6-7-9(11-8)4-3-5-10(12)13-2/h8H,3-7H2,1-2H3/t8-/m1/s1
InChIKeyFXEMDRYMBIUZGM-MRVPVSSYSA-N
XLogP1.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate?
The IUPAC name of methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate (CID 155937024) is methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate.
What is the SMILES notation for methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate?
The canonical SMILES for methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate is COC(=O)CCCC1=N[C@H](C)CC1.
What is the InChIKey of methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate?
The InChIKey is FXEMDRYMBIUZGM-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8-6-7-9(11-8)4-3-5-10(12)13-2/h8H,3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate?
methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate has a molecular weight of 183.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]butanoate is sourced from PubChem (CID 155937024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).