1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H18N2O3 — CID 63141329

IUPAC1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2CCCC2C(=O)O)CCNC1
InChIInChI=1S/C11H18N2O3/c1-11(4-5-12-7-11)10(16)13-6-2-3-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15)
InChIKeyTUXLLPROZUGOPC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds2

About 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 63141329) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID63141329
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)N2CCCC2C(=O)O)CCNC1
InChIInChI=1S/C11H18N2O3/c1-11(4-5-12-7-11)10(16)13-6-2-3-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15)
InChIKeyTUXLLPROZUGOPC-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(3-methylpiperidine-3-carbonyl)piperidine-2-carboxylic acid
CID 79034861
1-(4-methylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64564458
(2R)-1-(4-methoxypiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 114284514
(2R)-1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78925392
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
methyl 1-(3-methylpiperidine-3-carbonyl)pyrrolidine-2-carboxylate
CID 55164698
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
1-[2-(1-methylcyclohexyl)-2-oxoacetyl]pyrrolidine-2-carboxylic acid
CID 22064796
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
1-(4-ethylpiperidine-4-carbonyl)azepane-2-carboxylic acid
CID 64562121

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 63141329) is 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)N2CCCC2C(=O)O)CCNC1.
What is the InChIKey of 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TUXLLPROZUGOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(4-5-12-7-11)10(16)13-6-2-3-8(13)9(14)15/h8,12H,2-7H2,1H3,(H,14,15).
What are the key properties of 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63141329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).