3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid

C9H16N2O2 — CID 164655461

IUPAC3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
SMILESCC1CCN1C1(C(=O)O)CCNC1
InChIInChI=1S/C9H16N2O2/c1-7-2-5-11(7)9(8(12)13)3-4-10-6-9/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyFOTPZKVXUBQMSI-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.10
Rot. Bonds2

About 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid

3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid (PubChem CID 164655461) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
PubChem CID164655461
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
SMILESCC1CCN1C1(C(=O)O)CCNC1
InChIInChI=1S/C9H16N2O2/c1-7-2-5-11(7)9(8(12)13)3-4-10-6-9/h7,10H,2-6H2,1H3,(H,12,13)
InChIKeyFOTPZKVXUBQMSI-UHFFFAOYSA-N
XLogP-0.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 84765781
4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994673
4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
CID 82235017
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
(3-fluoropyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 130747822
3-methyl-1-piperazin-1-ylcyclohexane-1-carboxylic acid
CID 61002837
3-(2,3-dihydroindol-1-yl)pyrrolidine-3-carboxylic acid
CID 84795452
4-(1,4-diazepan-1-yl)piperidine-4-carboxylic acid
CID 61244103
4-methyl-1-[(3-methylpyrrolidine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63141596
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid (CID 164655461) is 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid is CC1CCN1C1(C(=O)O)CCNC1.
What is the InChIKey of 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is FOTPZKVXUBQMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7-2-5-11(7)9(8(12)13)3-4-10-6-9/h7,10H,2-6H2,1H3,(H,12,13).
What are the key properties of 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid?
3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 184.24 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164655461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).