1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

C18H22FNO4 — CID 120701746

IUPAC1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H22FNO4/c19-14-4-2-12(3-5-14)16-13(6-9-24-16)11-20-15(21)10-18(17(22)23)7-1-8-18/h2-5,13,16H,1,6-11H2,(H,20,21)(H,22,23)/t13-,16-/m0/s1
InChIKeyVKYCISNEXGHHNH-BBRMVZONSA-N
MW335.38 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid

1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (PubChem CID 120701746) has the molecular formula C18H22FNO4 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
PubChem CID120701746
Molecular FormulaC18H22FNO4
Molecular Weight335.38 g/mol
Exact Mass335.15
IUPAC Name1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C18H22FNO4/c19-14-4-2-12(3-5-14)16-13(6-9-24-16)11-20-15(21)10-18(17(22)23)7-1-8-18/h2-5,13,16H,1,6-11H2,(H,20,21)(H,22,23)/t13-,16-/m0/s1
InChIKeyVKYCISNEXGHHNH-BBRMVZONSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120701748
N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 138031660
3-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylcarbamoyl]-5-nitrobenzoic acid
CID 120701750
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-[(2-phenyloxan-3-yl)methyl]propanamide
CID 86843807
(2S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129489587
2-(1,2-oxazol-3-yl)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]acetamide
CID 129002650
1-(2-methoxyethyl)-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 126772714
(3R)-3-hydroxy-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]thiolane-3-carboxamide
CID 129400490
3-fluoro-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyridine-4-carboxamide
CID 129002144
[2-(4-fluorophenyl)oxolan-3-yl]methanamine;hydrochloride
CID 122360291
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[2-[(2-bromo-5-fluorophenyl)methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 61016742

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid (CID 120701746) is 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is O=C(CC1(C(=O)O)CCC1)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1.
What is the InChIKey of 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
The InChIKey is VKYCISNEXGHHNH-BBRMVZONSA-N. The full InChI is InChI=1S/C18H22FNO4/c19-14-4-2-12(3-5-14)16-13(6-9-24-16)11-20-15(21)10-18(17(22)23)7-1-8-18/h2-5,13,16H,1,6-11H2,(H,20,21)(H,22,23)/t13-,16-/m0/s1.
What are the key properties of 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid?
1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid has a molecular weight of 335.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120701746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).