(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid

C15H18FNO4 — CID 124704080

IUPAC(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)13(9-15(19)20)17-14(18)8-12-2-1-7-21-12/h3-6,12-13H,1-2,7-9H2,(H,17,18)(H,19,20)/t12-,13-/m1/s1
InChIKeyCHIBVVDYTQDZHD-CHWSQXEVSA-N
MW295.31 g/mol
LogP2.03
Rot. Bonds6

About (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid

(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid (PubChem CID 124704080) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
PubChem CID124704080
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(F)cc1
InChIInChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)13(9-15(19)20)17-14(18)8-12-2-1-7-21-12/h3-6,12-13H,1-2,7-9H2,(H,17,18)(H,19,20)/t12-,13-/m1/s1
InChIKeyCHIBVVDYTQDZHD-CHWSQXEVSA-N
XLogP2.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-cyclopentylacetyl)amino]-3-(4-fluorophenyl)propanoic acid
CID 45431634
3-(4-fluorophenyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119169606
(3S)-3-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124699769
4-(4-fluorophenyl)-4-hydroxy-3-(oxolan-2-ylmethylamino)butanoic acid
CID 82347965
N-[(1R)-1-(4-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(2S)-oxolan-2-yl]acetamide
CID 124852739
(2S)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 103804697
(2R)-2-[[2-(oxolan-2-yl)acetyl]amino]-2-phenylacetic acid
CID 65156988
(2S)-2-[[2-[(2S)-oxolan-2-yl]acetyl]amino]-2-phenylacetic acid
CID 124559457
3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
3-(4-fluorophenyl)-3-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 120513072
(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704267

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid (CID 124704080) is (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid is O=C(O)C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
The InChIKey is CHIBVVDYTQDZHD-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)13(9-15(19)20)17-14(18)8-12-2-1-7-21-12/h3-6,12-13H,1-2,7-9H2,(H,17,18)(H,19,20)/t12-,13-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid?
(3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid has a molecular weight of 295.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-fluorophenyl)-3-[[2-[(2R)-oxolan-2-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 124704080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).