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

C12H20N2O4 — CID 64892802

IUPAC1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H20N2O4/c1-11(10(16)17)2-5-14(6-3-11)9(15)12(13)4-7-18-8-12/h2-8,13H2,1H3,(H,16,17)
InChIKeyNACRMIQELRCHQR-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.18
Rot. Bonds2

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

1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (PubChem CID 64892802) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
PubChem CID64892802
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1
InChIInChI=1S/C12H20N2O4/c1-11(10(16)17)2-5-14(6-3-11)9(15)12(13)4-7-18-8-12/h2-8,13H2,1H3,(H,16,17)
InChIKeyNACRMIQELRCHQR-UHFFFAOYSA-N
XLogP-0.18
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid (CID 64892802) is 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid is CC1(C(=O)O)CCN(C(=O)C2(N)CCOC2)CC1.
What is the InChIKey of 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
The InChIKey is NACRMIQELRCHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-11(10(16)17)2-5-14(6-3-11)9(15)12(13)4-7-18-8-12/h2-8,13H2,1H3,(H,16,17).
What are the key properties of 1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid?
1-(3-aminooxolane-3-carbonyl)-4-methylpiperidine-4-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.18, 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)-4-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 64892802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).