1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid

C13H19NO3 — CID 65071570

IUPAC1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCC(c1ccco1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-10(11-6-4-9-17-11)14-8-5-7-13(14,2)12(15)16/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyUSSZNISPHWABQY-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.67
Rot. Bonds4

About 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid

1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65071570) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65071570
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCCC(c1ccco1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H19NO3/c1-3-10(11-6-4-9-17-11)14-8-5-7-13(14,2)12(15)16/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16)
InChIKeyUSSZNISPHWABQY-UHFFFAOYSA-N
XLogP2.67
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
1-[1-(3-bromophenyl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 114079270
1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65061066
1-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxylic acid
CID 104599302
2-methyl-1-(1-phenylbutyl)piperidine-2-carboxylic acid
CID 104599033
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383098
1-[1-(furan-2-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 65068786
1-[1-(2-bromophenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071123
1-[1-(2-methoxyphenyl)ethyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071323
1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine
CID 63215705

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid (CID 65071570) is 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid is CCC(c1ccco1)N1CCCC1(C)C(=O)O.
What is the InChIKey of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is USSZNISPHWABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-10(11-6-4-9-17-11)14-8-5-7-13(14,2)12(15)16/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,16).
What are the key properties of 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65071570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).