1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C15H26N2O4 — CID 66262627

IUPAC1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2(C)COCC2N)CC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(13(19)20)5-7-17(8-6-15)12(18)14(2)10-21-9-11(14)16/h11H,3-10,16H2,1-2H3,(H,19,20)
InChIKeyAFHROLFPDNRAMU-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.84
Rot. Bonds4

About 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 66262627) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID66262627
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2(C)COCC2N)CC1
InChIInChI=1S/C15H26N2O4/c1-3-4-15(13(19)20)5-7-17(8-6-15)12(18)14(2)10-21-9-11(14)16/h11H,3-10,16H2,1-2H3,(H,19,20)
InChIKeyAFHROLFPDNRAMU-UHFFFAOYSA-N
XLogP0.84
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Amino-2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-amino-2,2-dimethylpentanoic acid
CID 145675432
1-(Morpholine-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55164216
1-(2-Amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125541
1-(Oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125729
1-(3-Aminooxolane-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 64891029
1-(3-Aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 64892802
1-(3-Aminooxolane-3-carbonyl)-4-ethylpiperidine-4-carboxylic acid
CID 64892803
1-(3-Aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 64893002
1-(3-Aminooxolane-3-carbonyl)-3-ethylpiperidine-3-carboxylic acid
CID 64893004
1-(Morpholine-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65519894
4-(3-Propylpyrrolidine-3-carbonyl)morpholine-3-carboxylic acid
CID 65547099
4-[2-[(4-Aminooxolane-3-carbonyl)amino]ethyl]-5,5-dimethylhexanoic acid
CID 66235283

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 66262627) is 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2(C)COCC2N)CC1.
What is the InChIKey of 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is AFHROLFPDNRAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-3-4-15(13(19)20)5-7-17(8-6-15)12(18)14(2)10-21-9-11(14)16/h11H,3-10,16H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 66262627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).