2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid

C12H20N2O4 — CID 66235676

IUPAC2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
SMILESNC1COCC1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-10-7-18-6-9(10)12(17)14-3-1-2-8(5-14)4-11(15)16/h8-10H,1-7,13H2,(H,15,16)
InChIKeyHNVVHEKCDIJPAE-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.33
Rot. Bonds3

About 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid

2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid (PubChem CID 66235676) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
PubChem CID66235676
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
SMILESNC1COCC1C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C12H20N2O4/c13-10-7-18-6-9(10)12(17)14-3-1-2-8(5-14)4-11(15)16/h8-10H,1-7,13H2,(H,15,16)
InChIKeyHNVVHEKCDIJPAE-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290
(4-aminooxolan-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 66239793
2-[1-(oxane-3-carbonyl)piperidin-3-yl]acetic acid
CID 62759578
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
CID 66237050
(4-aminooxolan-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 66236078
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
2-[1-(pyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 63005504
2-[(3S)-1-(2,2,2-trifluoroacetyl)piperidin-3-yl]acetic acid
CID 94539611
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[(3R)-1-methylpiperidin-3-yl]acetic acid
CID 67245614

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid (CID 66235676) is 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid is NC1COCC1C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid?
The InChIKey is HNVVHEKCDIJPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c13-10-7-18-6-9(10)12(17)14-3-1-2-8(5-14)4-11(15)16/h8-10H,1-7,13H2,(H,15,16).
What are the key properties of 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid?
2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 66235676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).