2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

C15H26N2O3 — CID 138029015

IUPAC2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(C)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)17-7-3-4-13(17)15(20)16-8-5-12(6-9-16)10-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyGCUPIDBPLFWDDF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.57
Rot. Bonds4

About 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid

2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 138029015) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
PubChem CID138029015
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
SMILESCC(C)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C15H26N2O3/c1-11(2)17-7-3-4-13(17)15(20)16-8-5-12(6-9-16)10-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19)
InChIKeyGCUPIDBPLFWDDF-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
CID 154844605
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
1-[1-[(2S)-1-propan-2-ylpyrrolidine-2-carbonyl]piperidin-3-yl]ethanone
CID 170366358
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
2-[1-(2-aminocyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 79615083
2-(2-ethyl-1-propan-2-ylpiperidin-3-yl)acetic acid
CID 83849048
2-[1-[2-(methylamino)propanoyl]piperidin-4-yl]acetic acid
CID 79615727
2-[1-(azocane-1-carbonyl)piperidin-4-yl]acetic acid
CID 79608844
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid (CID 138029015) is 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is CC(C)N1CCCC1C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is GCUPIDBPLFWDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-11(2)17-7-3-4-13(17)15(20)16-8-5-12(6-9-16)10-14(18)19/h11-13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-propan-2-ylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 138029015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).