(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

C11H20FNO4 — CID 174175680

IUPAC(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CCCF)C(=O)O
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(16)13(4)8(9(14)15)6-5-7-12/h8H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyZNFTYNSTQJNZHA-QMMMGPOBSA-N
MW249.28 g/mol
LogP2.06
Rot. Bonds5

About (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 174175680) has the molecular formula C11H20FNO4 and a molecular weight of 249.28 g/mol. Its IUPAC name is (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID174175680
Molecular FormulaC11H20FNO4
Molecular Weight249.28 g/mol
Exact Mass249.14
IUPAC Name(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CCCF)C(=O)O
InChIInChI=1S/C11H20FNO4/c1-11(2,3)17-10(16)13(4)8(9(14)15)6-5-7-12/h8H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyZNFTYNSTQJNZHA-QMMMGPOBSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 174175680) is (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CN(C(=O)OC(C)(C)C)[C@@H](CCCF)C(=O)O.
What is the InChIKey of (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is ZNFTYNSTQJNZHA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20FNO4/c1-11(2,3)17-10(16)13(4)8(9(14)15)6-5-7-12/h8H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
(2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 249.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-fluoro-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 174175680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).