1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid

C13H20N2O5 — CID 115918559

IUPAC1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
SMILESNC1(CC(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CCC1
InChIInChI=1S/C13H20N2O5/c14-13(3-1-4-13)6-10(16)15-5-2-8(11(17)18)9(7-15)12(19)20/h8-9H,1-7,14H2,(H,17,18)(H,19,20)
InChIKeyRFXOLICPARCPFI-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.11
Rot. Bonds4

About 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid

1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid (PubChem CID 115918559) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
PubChem CID115918559
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
SMILESNC1(CC(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CCC1
InChIInChI=1S/C13H20N2O5/c14-13(3-1-4-13)6-10(16)15-5-2-8(11(17)18)9(7-15)12(19)20/h8-9H,1-7,14H2,(H,17,18)(H,19,20)
InChIKeyRFXOLICPARCPFI-UHFFFAOYSA-N
XLogP-0.11
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-[2-(1-aminocyclobutyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085644
2-(1-aminocyclobutyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 107217433
1-[2-(1-aminocyclohexyl)acetyl]pyrrolidine-3-carboxamide
CID 114081869
2-(1-aminocyclobutyl)-1-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79854762
1-[2-(1-aminocyclohexyl)acetyl]azetidine-3-carboxylic acid
CID 79308679
2-(1-aminocyclopentyl)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 64683579
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667
2-(1-aminocyclopentyl)-1-(3-tert-butylpyrrolidin-1-yl)ethanone
CID 113417335
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
2-(1-aminocyclobutyl)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 79851326
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid (CID 115918559) is 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid is NC1(CC(=O)N2CCC(C(=O)O)C(C(=O)O)C2)CCC1.
What is the InChIKey of 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is RFXOLICPARCPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c14-13(3-1-4-13)6-10(16)15-5-2-8(11(17)18)9(7-15)12(19)20/h8-9H,1-7,14H2,(H,17,18)(H,19,20).
What are the key properties of 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid?
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 284.31 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).