1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid

C12H20N2O5 — CID 112568092

IUPAC1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(N)CCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-7(13)2-3-10(15)14-5-4-8(11(16)17)9(6-14)12(18)19/h7-9H,2-6,13H2,1H3,(H,16,17)(H,18,19)
InChIKeyQWINQXPDGRCFEO-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.25
Rot. Bonds5

About 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid

1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid (PubChem CID 112568092) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
PubChem CID112568092
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid
SMILESCC(N)CCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1
InChIInChI=1S/C12H20N2O5/c1-7(13)2-3-10(15)14-5-4-8(11(16)17)9(6-14)12(18)19/h7-9H,2-6,13H2,1H3,(H,16,17)(H,18,19)
InChIKeyQWINQXPDGRCFEO-UHFFFAOYSA-N
XLogP-0.25
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pentan-1-one
CID 114797469
1-[(2R)-2-aminopropanoyl]piperidine-3,4-dicarboxylic acid
CID 113353831
1-(5-aminopentanoyl)piperidine-3,4-dicarboxylic acid
CID 112568080
4-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181825
1-[(2S)-2-amino-4-methylpentanoyl]piperidine-3,4-dicarboxylic acid
CID 103931165
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
1-[3-(tert-butylamino)propanoyl]piperidine-3,4-dicarboxylic acid
CID 115918606
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one
CID 120562621
4-amino-1-(4-ethenylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120562620
2-[1-(4-aminopentanoyl)azetidin-3-yl]propanoic acid
CID 116682380
4-amino-1-(4-cyclopropylpiperazin-1-yl)pentan-1-one;dihydrochloride
CID 120564504
1-[2-(1-aminocyclobutyl)acetyl]piperidine-3,4-dicarboxylic acid
CID 115918559

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid (CID 112568092) is 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid is CC(N)CCC(=O)N1CCC(C(=O)O)C(C(=O)O)C1.
What is the InChIKey of 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid?
The InChIKey is QWINQXPDGRCFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-7(13)2-3-10(15)14-5-4-8(11(16)17)9(6-14)12(18)19/h7-9H,2-6,13H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid?
1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid has a molecular weight of 272.30 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopentanoyl)piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 112568092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).