2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid

C12H20N2O3 — CID 116682193

IUPAC2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C12H20N2O3/c1-8(10(15)16)9-5-14(6-9)11(17)12(2)3-4-13-7-12/h8-9,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyXDBRMDRSTOUFRG-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.17
Rot. Bonds3

About 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid

2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid (PubChem CID 116682193) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid
PubChem CID116682193
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid
SMILESCC(C(=O)O)C1CN(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C12H20N2O3/c1-8(10(15)16)9-5-14(6-9)11(17)12(2)3-4-13-7-12/h8-9,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyXDBRMDRSTOUFRG-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119788100
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(3R)-1-(3-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylic acid
CID 81120931
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
(4-methylpiperidin-4-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103840374
(3-hydroxypiperidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 63138941
3-(1-carboxyethyl)azetidine-1-carboxylic acid
CID 123935097
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-(3-methylpiperidin-3-yl)methanone
CID 119945501

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid (CID 116682193) is 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid is CC(C(=O)O)C1CN(C(=O)C2(C)CCNC2)C1.
What is the InChIKey of 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid?
The InChIKey is XDBRMDRSTOUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(10(15)16)9-5-14(6-9)11(17)12(2)3-4-13-7-12/h8-9,13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid?
2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpyrrolidine-3-carbonyl)azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116682193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).