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

C11H18N2O4 — CID 64891574

IUPAC1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)CC2)CCOC1
InChIInChI=1S/C11H18N2O4/c12-11(3-6-17-7-11)10(16)13-4-1-8(2-5-13)9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyOJPCFGBGNBVWFU-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.57
Rot. Bonds2

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

1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 64891574) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID64891574
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)N2CCC(C(=O)O)CC2)CCOC1
InChIInChI=1S/C11H18N2O4/c12-11(3-6-17-7-11)10(16)13-4-1-8(2-5-13)9(14)15/h8H,1-7,12H2,(H,14,15)
InChIKeyOJPCFGBGNBVWFU-UHFFFAOYSA-N
XLogP-0.57
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminooxolan-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 64891679
2-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]acetamide
CID 64891161
(3-aminooxolan-3-yl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 64892612
1-(4-aminooxane-4-carbonyl)piperidine-3-carboxylic acid
CID 115294492
(3-aminooxolan-3-yl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 64891765
N-[1-(3-aminooxolane-3-carbonyl)piperidin-4-yl]ethanesulfonamide
CID 64893796
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
1-(3-aminooxolane-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 64893003
1-(1-aminocyclopropanecarbonyl)piperidine-4-carboxamide
CID 65466552
3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid
CID 64891608
(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
CID 116579508

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid (CID 64891574) is 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid is NC1(C(=O)N2CCC(C(=O)O)CC2)CCOC1.
What is the InChIKey of 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is OJPCFGBGNBVWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c12-11(3-6-17-7-11)10(16)13-4-1-8(2-5-13)9(14)15/h8H,1-7,12H2,(H,14,15).
What are the key properties of 1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid?
1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.57, 2 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)piperidine-4-carboxylic acid is sourced from PubChem (CID 64891574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).