1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 64893002

IUPAC1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-13(12(18)19)4-7-16(8-5-13)11(17)14(15)6-9-20-10-14/h2-10,15H2,1H3,(H,18,19)
InChIKeyCCEFXGVSKCYXRJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.60
Rot. Bonds4

About 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid

1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 64893002) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID64893002
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C14H24N2O4/c1-2-3-13(12(18)19)4-7-16(8-5-13)11(17)14(15)6-9-20-10-14/h2-10,15H2,1H3,(H,18,19)
InChIKeyCCEFXGVSKCYXRJ-UHFFFAOYSA-N
XLogP0.60
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-2-(morpholine-4-carbonyl)pentanoic acid
CID 150274457
1-(2-Amino-4-methoxybutanoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125541
1-(4-Methoxypyrrolidine-2-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125553
1-(Oxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63125729
1-(1-Morpholin-4-yl-1-oxopropan-2-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63148630
1-(2-Morpholin-4-yl-2-oxoethyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63152373
3-[(4-Propylpiperidine-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889473
3-[4-(3-Aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid
CID 64890978
2-[1-(3-Aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
CID 64891024
1-(3-Aminooxolane-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 64891029
1-(3-Aminooxolane-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 64891031
3-[1-(3-Aminooxolane-3-carbonyl)piperidin-3-yl]propanoic acid
CID 64891197

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid (CID 64893002) is 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is CCEFXGVSKCYXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-2-3-13(12(18)19)4-7-16(8-5-13)11(17)14(15)6-9-20-10-14/h2-10,15H2,1H3,(H,18,19).
What are the key properties of 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolane-3-carbonyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 64893002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).