5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

C11H21NO5 — CID 19973377

IUPAC5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(CO)CCC(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(7-13)5-6-9(14)15/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyWNROCGYNEKGNGH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.08
Rot. Bonds5

About 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid

5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (PubChem CID 19973377) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
PubChem CID19973377
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
SMILESCN(C(=O)OC(C)(C)C)C(CO)CCC(=O)O
InChIInChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(7-13)5-6-9(14)15/h8,13H,5-7H2,1-4H3,(H,14,15)
InChIKeyWNROCGYNEKGNGH-UHFFFAOYSA-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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Related Compounds

lithium(1+) (4R)-4-(((tert-butoxy)carbonyl)amino)-5-hydroxypentanoate
CID 154577346
(S)-3-Boc-2,2-dimethyloxazolidine-4-propanoic Acid
CID 10635974
(S)-2-((tert-Butoxycarbonyl)amino)-5-hydroxypentanoic acid
CID 10728329
(S)-methyl 4-(tert-butoxycarbonylamino)-5-hydroxypentanoate
CID 11107667
t-Butyloxycarbonyl (boc)-glutamic acid
CID 87547785
N-butyloxycarbonyl(boc)-l-glutamic acid
CID 129722281
(S)-tert-Butyl 4-((tert-butoxycarbonyl)amino)-5-hydroxypentanoate
CID 4055117
(S)-2-((tert-Butoxycarbonyl)(methyl)amino)pentanoic acid
CID 7010348
1,1-Dimethylethyl (4r)-4-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-5-hydroxypentanoate
CID 10108236
ethyl (2S)-2-[[(2S)-1-hydroxypropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoate
CID 10380258
T-Butyl 4-boc-(S)-amino-5-hydroxypentanoate
CID 10446895
3-[3-(Tert-butoxycarbonyl)-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 11139806

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The IUPAC name of 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid (CID 19973377) is 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid.
What is the SMILES notation for 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The canonical SMILES for 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is CN(C(=O)OC(C)(C)C)C(CO)CCC(=O)O.
What is the InChIKey of 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
The InChIKey is WNROCGYNEKGNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-11(2,3)17-10(16)12(4)8(7-13)5-6-9(14)15/h8,13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid?
5-hydroxy-4-[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 5-hydroxy-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid is sourced from PubChem (CID 19973377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).