(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid

C10H16F2N2O5 — CID 176956082

IUPAC(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESO=C(CN1CCOCC1)N[C@@H](COC(F)F)C(=O)O
InChIInChI=1S/C10H16F2N2O5/c11-10(12)19-6-7(9(16)17)13-8(15)5-14-1-3-18-4-2-14/h7,10H,1-6H2,(H,13,15)(H,16,17)/t7-/m0/s1
InChIKeySZRKFDAAKAFZKP-ZETCQYMHSA-N
MW282.24 g/mol
LogP-0.87
Rot. Bonds7

About (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid

(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid (PubChem CID 176956082) has the molecular formula C10H16F2N2O5 and a molecular weight of 282.24 g/mol. Its IUPAC name is (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
PubChem CID176956082
Molecular FormulaC10H16F2N2O5
Molecular Weight282.24 g/mol
Exact Mass282.10
IUPAC Name(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESO=C(CN1CCOCC1)N[C@@H](COC(F)F)C(=O)O
InChIInChI=1S/C10H16F2N2O5/c11-10(12)19-6-7(9(16)17)13-8(15)5-14-1-3-18-4-2-14/h7,10H,1-6H2,(H,13,15)(H,16,17)/t7-/m0/s1
InChIKeySZRKFDAAKAFZKP-ZETCQYMHSA-N
XLogP-0.87
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The IUPAC name of (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid (CID 176956082) is (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid is O=C(CN1CCOCC1)N[C@@H](COC(F)F)C(=O)O.
What is the InChIKey of (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The InChIKey is SZRKFDAAKAFZKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H16F2N2O5/c11-10(12)19-6-7(9(16)17)13-8(15)5-14-1-3-18-4-2-14/h7,10H,1-6H2,(H,13,15)(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
(2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid has a molecular weight of 282.24 g/mol, XLogP of -0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(difluoromethoxy)-2-[(2-morpholin-4-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 176956082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).