3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

C12H21N3O4 — CID 79328195

IUPAC3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESNC1CCN(CC(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C12H21N3O4/c13-9-1-4-15(5-2-9)7-10(16)14-12(11(17)18)3-6-19-8-12/h9H,1-8,13H2,(H,14,16)(H,17,18)
InChIKeyAKLPOPMJHGKWBE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.23
Rot. Bonds4

About 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid

3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (PubChem CID 79328195) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
PubChem CID79328195
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
SMILESNC1CCN(CC(=O)NC2(C(=O)O)CCOC2)CC1
InChIInChI=1S/C12H21N3O4/c13-9-1-4-15(5-2-9)7-10(16)14-12(11(17)18)3-6-19-8-12/h9H,1-8,13H2,(H,14,16)(H,17,18)
InChIKeyAKLPOPMJHGKWBE-UHFFFAOYSA-N
XLogP-1.23
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-cyclobutylacetyl)amino]oxolane-3-carboxylic acid
CID 103925898
3-[(2-cyclohexylacetyl)amino]oxolane-3-carboxylic acid
CID 64889178
3-(cyclopropylmethylamino)oxolane-3-carboxylic acid
CID 63333220
3-[(4-ethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 64892475
3-[[2-(3-ethoxycyclobutyl)acetyl]amino]oxolane-3-carboxylic acid
CID 103161981
3-[(3-carbamoylpyrrolidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 114082343
3-[[cyclopropylmethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892035
3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid
CID 64888794
4-[(2-cyclobutylacetyl)amino]oxane-4-carboxylic acid
CID 103162101
3-[(2-amino-1-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 82768356
3-(cycloheptylamino)oxolane-3-carboxylic acid
CID 63333317
3-[[2-(hydroxymethyl)azepane-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 116635668

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid (CID 79328195) is 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is NC1CCN(CC(=O)NC2(C(=O)O)CCOC2)CC1.
What is the InChIKey of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
The InChIKey is AKLPOPMJHGKWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-9-1-4-15(5-2-9)7-10(16)14-12(11(17)18)3-6-19-8-12/h9H,1-8,13H2,(H,14,16)(H,17,18).
What are the key properties of 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid?
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79328195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).