(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide

C17H25FN2O2 — CID 138000037

IUPAC(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-3-11(2)15(19)17(21)20-10-13-8-9-22-16(13)12-4-6-14(18)7-5-12/h4-7,11,13,15-16H,3,8-10,19H2,1-2H3,(H,20,21)/t11-,13-,15-,16-/m0/s1
InChIKeyWBIXBNCMKLSQAS-MZGVZZPPSA-N
MW308.40 g/mol
LogP2.39
Rot. Bonds6

About (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide

(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide (PubChem CID 138000037) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide
PubChem CID138000037
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1
InChIInChI=1S/C17H25FN2O2/c1-3-11(2)15(19)17(21)20-10-13-8-9-22-16(13)12-4-6-14(18)7-5-12/h4-7,11,13,15-16H,3,8-10,19H2,1-2H3,(H,20,21)/t11-,13-,15-,16-/m0/s1
InChIKeyWBIXBNCMKLSQAS-MZGVZZPPSA-N
XLogP2.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide (CID 138000037) is (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide is CC[C@H](C)[C@H](N)C(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1.
What is the InChIKey of (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide?
The InChIKey is WBIXBNCMKLSQAS-MZGVZZPPSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-11(2)15(19)17(21)20-10-13-8-9-22-16(13)12-4-6-14(18)7-5-12/h4-7,11,13,15-16H,3,8-10,19H2,1-2H3,(H,20,21)/t11-,13-,15-,16-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide?
(2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide has a molecular weight of 308.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-3-methylpentanamide is sourced from PubChem (CID 138000037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).