2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid

C10H17NO2 — CID 65223862

IUPAC2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
SMILESCCCC(CN1CC=CC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-5-9(10(12)13)8-11-6-3-4-7-11/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyYYEMBWIFVVQDMY-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.36
Rot. Bonds5

About 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid

2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid (PubChem CID 65223862) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid.

Molecular Properties

Compound Name2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
PubChem CID65223862
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid
SMILESCCCC(CN1CC=CC1)C(=O)O
InChIInChI=1S/C10H17NO2/c1-2-5-9(10(12)13)8-11-6-3-4-7-11/h3-4,9H,2,5-8H2,1H3,(H,12,13)
InChIKeyYYEMBWIFVVQDMY-UHFFFAOYSA-N
XLogP1.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dioxopyrrol-1-yl)methyl]pentanoic acid
CID 65221515
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
CID 65222111
2-[(4-methylpiperazin-1-yl)methyl]hexanoic acid
CID 142749204
2-[(2,7-dioxoazepan-1-yl)methyl]pentanoic acid
CID 65221514
calcium;sodium;hydride;2-propylpentanoic acid
CID 174695828
disodium;hydride;hydron;bis(2-propylpentanoic acid)
CID 173312027
formic acid;2-propylpentanoic acid
CID 87531584
(2S)-2-propylbutanedioic acid
CID 12648185
2-[(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)methyl]pentanoic acid
CID 103551504
λ2-stannane;2-propylhexanoic acid
CID 174232814

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid?
The IUPAC name of 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid (CID 65223862) is 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid.
What is the SMILES notation for 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid?
The canonical SMILES for 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid is CCCC(CN1CC=CC1)C(=O)O.
What is the InChIKey of 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid?
The InChIKey is YYEMBWIFVVQDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-5-9(10(12)13)8-11-6-3-4-7-11/h3-4,9H,2,5-8H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid?
2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid has a molecular weight of 183.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydropyrrol-1-ylmethyl)pentanoic acid is sourced from PubChem (CID 65223862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).