(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C11H20FNO4 — CID 130606798

IUPAC(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](F)C(=O)O
InChIInChI=1S/C11H20FNO4/c1-6(2)8(7(12)9(14)15)13-10(16)17-11(3,4)5/h6-8H,1-5H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyBCUVMLBGNBRXAO-SFYZADRCSA-N
MW249.28 g/mol
LogP1.96
Rot. Bonds4

About (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 130606798) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID130606798
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Name(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](F)C(=O)O
InChIInChI=1S/C11H20FNO4/c1-6(2)8(7(12)9(14)15)13-10(16)17-11(3,4)5/h6-8H,1-5H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1
InChIKeyBCUVMLBGNBRXAO-SFYZADRCSA-N
XLogP1.96
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Related Compounds

tert-butyl N-[(3R)-2-amino-4-methylpentan-3-yl]carbamate
CID 83350039
tert-butyl N-[(1R,2R)-1-hydroxy-3-methyl-1-phenylbutan-2-yl]carbamate
CID 102037533
2-[(2-methylpropan-2-yl)oxycarbonyl(15N)amino]propanoic acid
CID 168742763
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
CID 102537977
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpentanoic acid
CID 154733829
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(3S)-4-hydroxy-2-methylhex-5-en-3-yl]carbamate
CID 11322160
(2R)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 87381369
(2S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 122505376
(3R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87925903
(2R)-3-hydroxy-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 126969835
tert-butyl N-(1-hydroxy-2-methylpropyl)carbamate
CID 23292073

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 130606798) is (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](F)C(=O)O.
What is the InChIKey of (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is BCUVMLBGNBRXAO-SFYZADRCSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-6(2)8(7(12)9(14)15)13-10(16)17-11(3,4)5/h6-8H,1-5H3,(H,13,16)(H,14,15)/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 249.28 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-fluoro-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 130606798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).