(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid

C16H21FN2O4 — CID 125134200

IUPAC(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4/c1-11(16(21)22)18(2)15(20)14(19-6-8-23-9-7-19)12-4-3-5-13(17)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,21,22)/t11-,14-/m0/s1
InChIKeyIHVVUCXSHDMRAX-FZMZJTMJSA-N
MW324.35 g/mol
LogP1.13
Rot. Bonds5

About (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid

(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid (PubChem CID 125134200) has the molecular formula C16H21FN2O4 and a molecular weight of 324.35 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
PubChem CID125134200
Molecular FormulaC16H21FN2O4
Molecular Weight324.35 g/mol
Exact Mass324.15
IUPAC Name(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C16H21FN2O4/c1-11(16(21)22)18(2)15(20)14(19-6-8-23-9-7-19)12-4-3-5-13(17)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,21,22)/t11-,14-/m0/s1
InChIKeyIHVVUCXSHDMRAX-FZMZJTMJSA-N
XLogP1.13
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid with MolForge

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Related Compounds

methyl 2-(3-fluorophenyl)-2-morpholin-4-ylacetate
CID 116860419
N-(3-aminobutyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119499108
N-(2-cyanopropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide
CID 71998621
N-(2-amino-2-methylpropyl)-2-(3-fluorophenyl)-2-morpholin-4-ylacetamide;dihydrochloride
CID 119630100
2-(3-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 111561979
2-(3-cyclopropylphenyl)-2-morpholin-4-ylacetic acid
CID 79981052
(2S)-2-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(3-fluorophenyl)acetic acid
CID 97135036
2-(3-fluorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-morpholin-4-ylacetamide
CID 71912984
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
2-(4-bromo-3-fluorophenyl)-2-morpholin-4-ylacetic acid
CID 81447698
2-(3-fluorophenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-morpholin-4-ylacetamide
CID 120947167
methyl 2-(3-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117243295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid?
The IUPAC name of (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid (CID 125134200) is (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid is C[C@@H](C(=O)O)N(C)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid?
The InChIKey is IHVVUCXSHDMRAX-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H21FN2O4/c1-11(16(21)22)18(2)15(20)14(19-6-8-23-9-7-19)12-4-3-5-13(17)10-12/h3-5,10-11,14H,6-9H2,1-2H3,(H,21,22)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid?
(2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid has a molecular weight of 324.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2S)-2-(3-fluorophenyl)-2-morpholin-4-ylacetyl]-methylamino]propanoic acid is sourced from PubChem (CID 125134200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).