3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid

C11H17NO2 — CID 104808762

IUPAC3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
SMILESCC#CCCN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-3-4-5-7-12-8-6-11(2,9-12)10(13)14/h5-9H2,1-2H3,(H,13,14)
InChIKeyRJYAFWJVHGORQH-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.20
Rot. Bonds3

About 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid

3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid (PubChem CID 104808762) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
PubChem CID104808762
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid
SMILESCC#CCCN1CCC(C)(C(=O)O)C1
InChIInChI=1S/C11H17NO2/c1-3-4-5-7-12-8-6-11(2,9-12)10(13)14/h5-9H2,1-2H3,(H,13,14)
InChIKeyRJYAFWJVHGORQH-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
3-methyl-1-(2-propoxyethyl)pyrrolidine-3-carboxylic acid
CID 106454697
1-(2-cycloheptylethyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122046270
3-methyl-1-(2-methylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 63147684
1-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147801
1-(2-ethylbutyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65064170
4-methyl-1-propylpiperidine-4-carboxylic acid
CID 23389278
1-(2-hydroxyethyl)-4-methylpiperidine-4-carboxylic acid
CID 63124484
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
1-(3-anilino-3-oxopropyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63148218
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid (CID 104808762) is 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid is CC#CCCN1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid?
The InChIKey is RJYAFWJVHGORQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-4-5-7-12-8-6-11(2,9-12)10(13)14/h5-9H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid?
3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pent-3-ynylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 104808762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).