propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

C15H28FNO4 — CID 130196353

IUPACpropan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCC(C)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28FNO4/c1-10(2)20-12(18)11(9-15(6,7)16)17(8)13(19)21-14(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyUFWWASJLTLVTKU-NSHDSACASA-N
MW305.39 g/mol
LogP3.31
Rot. Bonds5

About propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate

propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (PubChem CID 130196353) has the molecular formula C15H28FNO4 and a molecular weight of 305.39 g/mol. Its IUPAC name is propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
PubChem CID130196353
Molecular FormulaC15H28FNO4
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Namepropan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
SMILESCC(C)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H28FNO4/c1-10(2)20-12(18)11(9-15(6,7)16)17(8)13(19)21-14(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1
InChIKeyUFWWASJLTLVTKU-NSHDSACASA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The IUPAC name of propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate (CID 130196353) is propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate.
What is the SMILES notation for propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The canonical SMILES for propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is CC(C)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C.
What is the InChIKey of propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
The InChIKey is UFWWASJLTLVTKU-NSHDSACASA-N. The full InChI is InChI=1S/C15H28FNO4/c1-10(2)20-12(18)11(9-15(6,7)16)17(8)13(19)21-14(3,4)5/h10-11H,9H2,1-8H3/t11-/m0/s1.
What are the key properties of propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate?
propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate has a molecular weight of 305.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-4-fluoro-4-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate is sourced from PubChem (CID 130196353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).