(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid

C14H27NO5 — CID 87601793

IUPAC(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
SMILESCC(C)(C)OC(=O)N([C@@H](CCCO)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h10,16H,7-9H2,1-6H3,(H,17,18)/t10-/m0/s1
InChIKeyKDWJUJZOKBOZKL-JTQLQIEISA-N
MW289.37 g/mol
LogP2.25
Rot. Bonds5

About (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid

(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid (PubChem CID 87601793) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
PubChem CID87601793
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Name(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid
SMILESCC(C)(C)OC(=O)N([C@@H](CCCO)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h10,16H,7-9H2,1-6H3,(H,17,18)/t10-/m0/s1
InChIKeyKDWJUJZOKBOZKL-JTQLQIEISA-N
XLogP2.25
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The IUPAC name of (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid (CID 87601793) is (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid is CC(C)(C)OC(=O)N([C@@H](CCCO)C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
The InChIKey is KDWJUJZOKBOZKL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H27NO5/c1-13(2,3)15(12(19)20-14(4,5)6)10(11(17)18)8-7-9-16/h10,16H,7-9H2,1-6H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid?
(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid has a molecular weight of 289.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-hydroxypentanoic acid is sourced from PubChem (CID 87601793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).