(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid

C14H16FNO4 — CID 124704267

IUPAC(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-11-3-1-9(2-4-11)12(7-13(17)18)16-14(19)10-5-6-20-8-10/h1-4,10,12H,5-8H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1
InChIKeyBFYJDPYFKKJGBJ-ZYHUDNBSSA-N
MW281.28 g/mol
LogP1.49
Rot. Bonds5

About (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid

(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid (PubChem CID 124704267) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
PubChem CID124704267
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
SMILESO=C(O)C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1
InChIInChI=1S/C14H16FNO4/c15-11-3-1-9(2-4-11)12(7-13(17)18)16-14(19)10-5-6-20-8-10/h1-4,10,12H,5-8H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1
InChIKeyBFYJDPYFKKJGBJ-ZYHUDNBSSA-N
XLogP1.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclooctanecarbonylamino)-3-(4-fluorophenyl)propanoic acid
CID 120513053
(3S)-3-(4-chloro-3-fluorophenyl)-3-[[(3S)-oxane-3-carbonyl]amino]propanoic acid
CID 124700631
3-(4-fluorophenyl)-3-[[2-(oxan-4-yl)acetyl]amino]propanoic acid
CID 119169606
3-(4-tert-butylphenyl)-3-(oxane-4-carbonylamino)propanoic acid
CID 119209982
(3S)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124700640
(3R)-3-[[(3S)-oxolane-3-carbonyl]amino]-3-thiophen-2-ylpropanoic acid
CID 124704357
ethyl (3S)-3-(oxolane-3-carbonylamino)-3-phenylpropanoate
CID 58782549
(3S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 125132862
3-(4-fluorophenyl)-3-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 120513072
(3S)-3-[[(3S)-6-chloro-3,4-dihydro-2H-chromene-3-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 129360459
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
CID 97098048
(3S)-3-(4-fluorophenyl)-3-[[(3R)-5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl]amino]propanoic acid
CID 124681537

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid?
The IUPAC name of (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid (CID 124704267) is (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid?
The canonical SMILES for (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid is O=C(O)C[C@@H](NC(=O)[C@@H]1CCOC1)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid?
The InChIKey is BFYJDPYFKKJGBJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-11-3-1-9(2-4-11)12(7-13(17)18)16-14(19)10-5-6-20-8-10/h1-4,10,12H,5-8H2,(H,16,19)(H,17,18)/t10-,12-/m1/s1.
What are the key properties of (3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid?
(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid has a molecular weight of 281.28 g/mol, XLogP of 1.49, 5 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-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 124704267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).