2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid

C13H23NO5 — CID 125152120

IUPAC2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C)COCCC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-10(2)9-18-5-3-12(15)14-4-6-19-11(8-14)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyNBDYDDKMLJQRDE-LLVKDONJSA-N
MW273.33 g/mol
LogP0.75
Rot. Bonds7

About 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid

2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid (PubChem CID 125152120) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
PubChem CID125152120
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid
SMILESCC(C)COCCC(=O)N1CCO[C@H](CC(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-10(2)9-18-5-3-12(15)14-4-6-19-11(8-14)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyNBDYDDKMLJQRDE-LLVKDONJSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.75
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)-4-[3-(2-methylpropoxy)propanoyl]morpholine-2-carboxylic acid
CID 125154347
2-[4-[3-(2,2,2-trifluoroethoxy)propanoyl]morpholin-2-yl]acetic acid
CID 66435738
2-[4-[2-[4-(2-methylpropoxy)phenyl]acetyl]morpholin-2-yl]acetic acid
CID 119247660
2-[4-[2-(2-methylpropylsulfonyl)acetyl]morpholin-2-yl]acetic acid
CID 119248405
2-[4-(2-pentoxyacetyl)morpholin-2-yl]acetic acid
CID 119247634
2-[(2S)-4-[3-[(2R,5R)-5-methyloxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 125153357
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]-6-oxohexanoic acid
CID 115534065
2-[4-(2,2,4-trimethylpentanoyl)morpholin-2-yl]acetic acid
CID 120687874
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid (CID 125152120) is 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid is CC(C)COCCC(=O)N1CCO[C@H](CC(=O)O)C1.
What is the InChIKey of 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid?
The InChIKey is NBDYDDKMLJQRDE-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO5/c1-10(2)9-18-5-3-12(15)14-4-6-19-11(8-14)7-13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid?
2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid has a molecular weight of 273.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-(2-methylpropoxy)propanoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 125152120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).