3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid

C11H20N2O3 — CID 70072235

IUPAC3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(CC1CCNO1)C1CCNCC1
InChIInChI=1S/C11H20N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h8-10,12-13H,1-7H2,(H,14,15)
InChIKeyNPMLDWNBVSZVQT-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.37
Rot. Bonds4

About 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid

3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid (PubChem CID 70072235) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid
PubChem CID70072235
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid
SMILESO=C(O)C(CC1CCNO1)C1CCNCC1
InChIInChI=1S/C11H20N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h8-10,12-13H,1-7H2,(H,14,15)
InChIKeyNPMLDWNBVSZVQT-UHFFFAOYSA-N
XLogP0.37
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-2-piperidin-4-ylpropanoic acid
CID 117239541
3-(1,2-oxazolidin-5-yl)-2-[4-(2-piperidin-4-ylethoxy)phenyl]propanoic acid
CID 67645361
3-(azepan-1-yl)-2-piperidin-4-ylpropanoic acid
CID 117239592
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
(2R)-2-cyclobutyl-3-cyclopropylpropanoic acid
CID 99988116
3-cyclobutyl-2-cyclopropylpropanoic acid
CID 115013430
3-(4-methoxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239821
3-(4-methylphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239808
(2S)-2-(methylamino)-3-piperidin-4-ylpropanoic acid
CID 169025052
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid?
The IUPAC name of 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid (CID 70072235) is 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid.
What is the SMILES notation for 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid?
The canonical SMILES for 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid is O=C(O)C(CC1CCNO1)C1CCNCC1.
What is the InChIKey of 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid?
The InChIKey is NPMLDWNBVSZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-11(15)10(7-9-3-6-13-16-9)8-1-4-12-5-2-8/h8-10,12-13H,1-7H2,(H,14,15).
What are the key properties of 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid?
3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-oxazolidin-5-yl)-2-piperidin-4-ylpropanoic acid is sourced from PubChem (CID 70072235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).