(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid

C14H23NO5 — CID 129467409

IUPAC(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCOC[C@H]1CCCO1
InChIInChI=1S/C14H23NO5/c16-13(6-9-19-10-11-4-3-8-20-11)15-7-2-1-5-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyWUHVUZONBSHXDN-VXGBXAGGSA-N
MW285.34 g/mol
LogP1.04
Rot. Bonds6

About (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid

(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid (PubChem CID 129467409) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
PubChem CID129467409
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CCOC[C@H]1CCCO1
InChIInChI=1S/C14H23NO5/c16-13(6-9-19-10-11-4-3-8-20-11)15-7-2-1-5-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1
InChIKeyWUHVUZONBSHXDN-VXGBXAGGSA-N
XLogP1.04
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574
1-[2-(oxolan-2-yl)acetyl]azepane-2-carboxylic acid
CID 65156903
(2S)-1-[3-(oxolan-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136843
(2S,3aS,7aS)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125150075
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one;hydrochloride
CID 119434650
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 119631117
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
(2S)-1-(3-propoxypropanoyl)piperidine-2-carboxylic acid
CID 66263294
1-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-[[(2S)-oxolan-2-yl]methoxy]propan-1-one
CID 95762384
1-[3-(2-methoxyethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356993
3-(oxan-2-ylmethoxy)propanamide
CID 22444989
(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid (CID 129467409) is (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CCOC[C@H]1CCCO1.
What is the InChIKey of (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid?
The InChIKey is WUHVUZONBSHXDN-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23NO5/c16-13(6-9-19-10-11-4-3-8-20-11)15-7-2-1-5-12(15)14(17)18/h11-12H,1-10H2,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid?
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 129467409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).