2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid

C15H26N2O3 — CID 83200263

IUPAC2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C(=O)N1CCCC1CC(=O)O)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-15(2,11-5-3-7-16-10-11)14(20)17-8-4-6-12(17)9-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyDEKDGAYQTNYPEP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid

2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 83200263) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
PubChem CID83200263
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid
SMILESCC(C)(C(=O)N1CCCC1CC(=O)O)C1CCCNC1
InChIInChI=1S/C15H26N2O3/c1-15(2,11-5-3-7-16-10-11)14(20)17-8-4-6-12(17)9-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19)
InChIKeyDEKDGAYQTNYPEP-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199895
1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83198699
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
2-[1-[(3S)-piperidine-3-carbonyl]pyrrolidin-2-yl]acetic acid
CID 81140304
3-methyl-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102780306
2-[4-(2-methyl-2-piperidin-3-ylpropanoyl)morpholin-2-yl]acetic acid
CID 83200057
2-methyl-1-piperazin-1-yl-2-piperidin-3-ylpropan-1-one
CID 83031141
2-[1-(3-piperidin-3-ylbutanoyl)pyrrolidin-2-yl]acetic acid
CID 81043675
2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]acetic acid
CID 61372651
(2R,4R)-4-hydroxy-1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83199631
3-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-3-yl]propanoic acid
CID 83199346
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 112625086

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid (CID 83200263) is 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid is CC(C)(C(=O)N1CCCC1CC(=O)O)C1CCCNC1.
What is the InChIKey of 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is DEKDGAYQTNYPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,11-5-3-7-16-10-11)14(20)17-8-4-6-12(17)9-13(18)19/h11-12,16H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-2-piperidin-3-ylpropanoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 83200263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).