2-methyl-5-pyrrolidin-1-ylpentanoic acid

C10H19NO2 — CID 104686947

IUPAC2-methyl-5-pyrrolidin-1-ylpentanoic acid
SMILESCC(CCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)5-4-8-11-6-2-3-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHHTOIRUZLXQQMC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds5

About 2-methyl-5-pyrrolidin-1-ylpentanoic acid

2-methyl-5-pyrrolidin-1-ylpentanoic acid (PubChem CID 104686947) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-5-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name2-methyl-5-pyrrolidin-1-ylpentanoic acid
PubChem CID104686947
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-5-pyrrolidin-1-ylpentanoic acid
SMILESCC(CCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-9(10(12)13)5-4-8-11-6-2-3-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyHHTOIRUZLXQQMC-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azepan-1-yl)-2-methylpentanoic acid
CID 104686956
2-methyl-5-morpholin-4-ylpentanoic acid
CID 20751269
2-methyl-6-(3-pyrrolidin-1-ylpropylamino)heptanoic acid
CID 65289087
2-methyl-5-(2-pyrrolidin-1-ylethylcarbamoylamino)pentanoic acid
CID 104686613
2-methyl-3-(3-pyrrolidin-1-ylpropylsulfanyl)propanoic acid
CID 64916286
2-methyl-3-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 82323085
(2S)-2-methyl-3-pyrrolidin-1-ylpropanoic acid
CID 51704154
5-(1,1-dioxothiazinan-2-yl)-2-methylpentanoic acid
CID 116814539
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyrrolidin-1-ylpentanoic acid
CID 146596654
5-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methylpentanoic acid
CID 163404232
4-(azocan-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 63030294
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 2-methyl-5-pyrrolidin-1-ylpentanoic acid (CID 104686947) is 2-methyl-5-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 2-methyl-5-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 2-methyl-5-pyrrolidin-1-ylpentanoic acid is CC(CCCN1CCCC1)C(=O)O.
What is the InChIKey of 2-methyl-5-pyrrolidin-1-ylpentanoic acid?
The InChIKey is HHTOIRUZLXQQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(10(12)13)5-4-8-11-6-2-3-7-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5-pyrrolidin-1-ylpentanoic acid?
2-methyl-5-pyrrolidin-1-ylpentanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 104686947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).