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

C13H22N2O4 — CID 64891608

IUPAC3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESNC1(C(=O)N2CCCCC2CCC(=O)O)CCOC1
InChIInChI=1S/C13H22N2O4/c14-13(6-8-19-9-13)12(18)15-7-2-1-3-10(15)4-5-11(16)17/h10H,1-9,14H2,(H,16,17)
InChIKeyMTPBFPQNOZNZBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.35
Rot. Bonds4

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

3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 64891608) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID64891608
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid
SMILESNC1(C(=O)N2CCCCC2CCC(=O)O)CCOC1
InChIInChI=1S/C13H22N2O4/c14-13(6-8-19-9-13)12(18)15-7-2-1-3-10(15)4-5-11(16)17/h10H,1-9,14H2,(H,16,17)
InChIKeyMTPBFPQNOZNZBR-UHFFFAOYSA-N
XLogP0.35
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-aminooxolan-3-yl)-(2-ethylazepan-1-yl)methanone
CID 104689740
N-[2-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 64891761
(4-aminooxan-4-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218110
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(3-aminooxolan-3-yl)methanone
CID 82746951
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769
3-[1-[3-(oxolan-2-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 62217111
3-[(2S)-1-[2-[(2S)-oxolan-2-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124512417
3-[1-(4-ethylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 63129046
1-(3-aminooxolane-3-carbonyl)piperidine-4-carboxylic acid
CID 64891574
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid (CID 64891608) is 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid is NC1(C(=O)N2CCCCC2CCC(=O)O)CCOC1.
What is the InChIKey of 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is MTPBFPQNOZNZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c14-13(6-8-19-9-13)12(18)15-7-2-1-3-10(15)4-5-11(16)17/h10H,1-9,14H2,(H,16,17).
What are the key properties of 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminooxolane-3-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 64891608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).