2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid

C15H23NO4 — CID 119248213

IUPAC2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(C2CC2)C2CC2)CCO1
InChIInChI=1S/C15H23NO4/c17-14(8-13(10-1-2-10)11-3-4-11)16-5-6-20-12(9-16)7-15(18)19/h10-13H,1-9H2,(H,18,19)
InChIKeyVFVWKHWHPVFZLI-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.51
Rot. Bonds6

About 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid

2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid (PubChem CID 119248213) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
PubChem CID119248213
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)CC(C2CC2)C2CC2)CCO1
InChIInChI=1S/C15H23NO4/c17-14(8-13(10-1-2-10)11-3-4-11)16-5-6-20-12(9-16)7-15(18)19/h10-13H,1-9H2,(H,18,19)
InChIKeyVFVWKHWHPVFZLI-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
2-[(2R)-4-[(3R)-3-(2-fluorophenyl)butanoyl]morpholin-2-yl]acetic acid
CID 124692942
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358
2-[4-(4-hydroxypiperidine-1-carbonyl)morpholin-2-yl]acetic acid
CID 66433665
2-[4-[(2S)-2-aminopropanoyl]morpholin-2-yl]acetic acid
CID 66433437

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid (CID 119248213) is 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)CC(C2CC2)C2CC2)CCO1.
What is the InChIKey of 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid?
The InChIKey is VFVWKHWHPVFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-14(8-13(10-1-2-10)11-3-4-11)16-5-6-20-12(9-16)7-15(18)19/h10-13H,1-9H2,(H,18,19).
What are the key properties of 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid?
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid has a molecular weight of 281.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119248213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).