methyl (2R)-2-pyrrol-1-ylpentanoate

C10H15NO2 — CID 101386309

IUPACmethyl (2R)-2-pyrrol-1-ylpentanoate
SMILESCCC[C@H](C(=O)OC)n1cccc1
InChIInChI=1S/C10H15NO2/c1-3-6-9(10(12)13-2)11-7-4-5-8-11/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyILUYFLTUKIVJEL-SECBINFHSA-N
MW181.24 g/mol
LogP2.00
Rot. Bonds4

About methyl (2R)-2-pyrrol-1-ylpentanoate

methyl (2R)-2-pyrrol-1-ylpentanoate (PubChem CID 101386309) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is methyl (2R)-2-pyrrol-1-ylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-pyrrol-1-ylpentanoate
PubChem CID101386309
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Namemethyl (2R)-2-pyrrol-1-ylpentanoate
SMILESCCC[C@H](C(=O)OC)n1cccc1
InChIInChI=1S/C10H15NO2/c1-3-6-9(10(12)13-2)11-7-4-5-8-11/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1
InChIKeyILUYFLTUKIVJEL-SECBINFHSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-pyrrol-1-ylbutanoate
CID 100793863
ethyl (2S)-5-oxo-2-pyrrol-1-ylpentanoate
CID 11241251
dimethyl 2-pyrrol-1-ylpropanedioate
CID 70505716
dinaphthalen-1-ylmethyl (2S)-2-pyrrol-1-ylpentanoate
CID 118288318
methyl (2R)-2-[(1S,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]pentanoate
CID 882003
4-methoxy-2-pyrrol-1-ylbutanoic acid
CID 62478641
methyl 2-(4-phenylpiperazin-1-yl)pentanoate
CID 43906551
methyl (2S)-3-(4-prop-2-enoxyphenyl)-2-pyrrol-1-ylpropanoate
CID 102183908
methyl 2-aminopentanoate
CID 533890
methyl 2-hydroxypentanoate
CID 543619
ethyl 2-(pyrrol-1-ylamino)pentanoate
CID 83041117
N-(1-methylsulfonylpiperidin-4-yl)-2-pyrrol-1-ylpentanamide
CID 56867451

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-pyrrol-1-ylpentanoate?
The IUPAC name of methyl (2R)-2-pyrrol-1-ylpentanoate (CID 101386309) is methyl (2R)-2-pyrrol-1-ylpentanoate.
What is the SMILES notation for methyl (2R)-2-pyrrol-1-ylpentanoate?
The canonical SMILES for methyl (2R)-2-pyrrol-1-ylpentanoate is CCC[C@H](C(=O)OC)n1cccc1.
What is the InChIKey of methyl (2R)-2-pyrrol-1-ylpentanoate?
The InChIKey is ILUYFLTUKIVJEL-SECBINFHSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-6-9(10(12)13-2)11-7-4-5-8-11/h4-5,7-9H,3,6H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-pyrrol-1-ylpentanoate?
methyl (2R)-2-pyrrol-1-ylpentanoate has a molecular weight of 181.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-pyrrol-1-ylpentanoate is sourced from PubChem (CID 101386309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).