2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid

C26H52N4O4 — CID 157101954

IUPAC2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid
SMILESCC1CCCN1.CCCN1CCCC1C.CCCN1CCCC1C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C8H15NO2.C8H17N.C5H9NO2.C5H11N/c1-2-5-9-6-3-4-7(9)8(10)11;1-3-6-9-7-4-5-8(9)2;7-5(8)4-2-1-3-6-4;1-5-3-2-4-6-5/h7H,2-6H2,1H3,(H,10,11);8H,3-7H2,1-2H3;4,6H,1-3H2,(H,7,8);5-6H,2-4H2,1H3
InChIKeyAFWCZFQOEJEPAS-UHFFFAOYSA-N
MW484.73 g/mol
LogP3.41
Rot. Bonds6

About 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid

2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid (PubChem CID 157101954) has the molecular formula C26H52N4O4 and a molecular weight of 484.73 g/mol. Its IUPAC name is 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid
PubChem CID157101954
Molecular FormulaC26H52N4O4
Molecular Weight484.73 g/mol
Exact Mass484.40
IUPAC Name2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid
SMILESCC1CCCN1.CCCN1CCCC1C.CCCN1CCCC1C(=O)O.O=C(O)C1CCCN1
InChIInChI=1S/C8H15NO2.C8H17N.C5H9NO2.C5H11N/c1-2-5-9-6-3-4-7(9)8(10)11;1-3-6-9-7-4-5-8(9)2;7-5(8)4-2-1-3-6-4;1-5-3-2-4-6-5/h7H,2-6H2,1H3,(H,10,11);8H,3-7H2,1-2H3;4,6H,1-3H2,(H,7,8);5-6H,2-4H2,1H3
InChIKeyAFWCZFQOEJEPAS-UHFFFAOYSA-N
XLogP3.41
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.73
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
ethane;methane;1-methylsulfonylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid
CID 158342506
CID 172742310
CID 172742310
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
(2S)-1-[5-[(2S)-2-carboxypyrrolidin-1-yl]pentyl]pyrrolidine-2-carboxylic acid
CID 138991676
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
4-methyl-1-propylpiperidine-2-carboxylic acid
CID 114426252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid (CID 157101954) is 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid is CC1CCCN1.CCCN1CCCC1C.CCCN1CCCC1C(=O)O.O=C(O)C1CCCN1.
What is the InChIKey of 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid?
The InChIKey is AFWCZFQOEJEPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C8H17N.C5H9NO2.C5H11N/c1-2-5-9-6-3-4-7(9)8(10)11;1-3-6-9-7-4-5-8(9)2;7-5(8)4-2-1-3-6-4;1-5-3-2-4-6-5/h7H,2-6H2,1H3,(H,10,11);8H,3-7H2,1-2H3;4,6H,1-3H2,(H,7,8);5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid?
2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid has a molecular weight of 484.73 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylpyrrolidine;2-methylpyrrolidine;1-propylpyrrolidine-2-carboxylic acid;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 157101954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).