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

C11H21NO5 — CID 174175681

IUPAC(2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CCCO)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(9(14)15)6-5-7-13/h8,13H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyWPIQSMTYWBASET-QMMMGPOBSA-N
MW247.29 g/mol
LogP1.08
Rot. Bonds5

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

(2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 174175681) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID174175681
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name(2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)[C@@H](CCCO)C(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(9(14)15)6-5-7-13/h8,13H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1
InChIKeyWPIQSMTYWBASET-QMMMGPOBSA-N
XLogP1.08
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 174175681) is (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CN(C(=O)OC(C)(C)C)[C@@H](CCCO)C(=O)O.
What is the InChIKey of (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is WPIQSMTYWBASET-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(9(14)15)6-5-7-13/h8,13H,5-7H2,1-4H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
(2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 174175681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).