(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid

C13H21NO6 — CID 125150368

IUPAC(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H21NO6/c1-9(20-7-10-3-2-5-19-10)12(15)14-4-6-18-8-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10-,11+/m0/s1
InChIKeyDAXPCFGWWGFHLH-GARJFASQSA-N
MW287.31 g/mol
LogP-0.12
Rot. Bonds5

About (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid

(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid (PubChem CID 125150368) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
PubChem CID125150368
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC Name(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid
SMILESC[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C13H21NO6/c1-9(20-7-10-3-2-5-19-10)12(15)14-4-6-18-8-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10-,11+/m0/s1
InChIKeyDAXPCFGWWGFHLH-GARJFASQSA-N
XLogP-0.12
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[2-(oxan-2-ylmethoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371915
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
(3R)-1-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-3-carboxylic acid
CID 129466161
(3S)-4-[3-[(2R)-oxolan-2-yl]propanoyl]morpholine-3-carboxylic acid
CID 124513489
2-[(2S)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholin-2-yl]acetic acid
CID 125120231
(2R)-2-methyl-1-[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]pyrrolidine-2-carboxylic acid
CID 129470132
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
1-[2-(oxan-2-ylmethoxy)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169175
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(oxolan-2-ylmethoxy)propan-1-one
CID 119411763
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(2S)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-[[(2S)-oxan-2-yl]methoxy]propan-1-one
CID 129427663

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid (CID 125150368) is (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid is C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid?
The InChIKey is DAXPCFGWWGFHLH-GARJFASQSA-N. The full InChI is InChI=1S/C13H21NO6/c1-9(20-7-10-3-2-5-19-10)12(15)14-4-6-18-8-11(14)13(16)17/h9-11H,2-8H2,1H3,(H,16,17)/t9-,10-,11+/m0/s1.
What are the key properties of (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid?
(3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of -0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2S)-2-[[(2S)-oxolan-2-yl]methoxy]propanoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125150368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).