3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid

C12H21N3O4 — CID 64890978

IUPAC3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESNC1(C(=O)N2CCN(CCC(=O)O)CC2)CCOC1
InChIInChI=1S/C12H21N3O4/c13-12(2-8-19-9-12)11(18)15-6-4-14(5-7-15)3-1-10(16)17/h1-9,13H2,(H,16,17)
InChIKeySLYRKZNLQCWNNT-UHFFFAOYSA-N
MW271.32 g/mol
LogP-1.28
Rot. Bonds4

About 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid

3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid (PubChem CID 64890978) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid
PubChem CID64890978
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid
SMILESNC1(C(=O)N2CCN(CCC(=O)O)CC2)CCOC1
InChIInChI=1S/C12H21N3O4/c13-12(2-8-19-9-12)11(18)15-6-4-14(5-7-15)3-1-10(16)17/h1-9,13H2,(H,16,17)
InChIKeySLYRKZNLQCWNNT-UHFFFAOYSA-N
XLogP-1.28
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid (CID 64890978) is 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid is NC1(C(=O)N2CCN(CCC(=O)O)CC2)CCOC1.
What is the InChIKey of 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is SLYRKZNLQCWNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c13-12(2-8-19-9-12)11(18)15-6-4-14(5-7-15)3-1-10(16)17/h1-9,13H2,(H,16,17).
What are the key properties of 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid?
3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 271.32 g/mol, XLogP of -1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminooxolane-3-carbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64890978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).