ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C11H21NO5 — CID 10857788

IUPACethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)[C@](C)(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-6-16-8(13)11(5,15)7-12-9(14)17-10(2,3)4/h15H,6-7H2,1-5H3,(H,12,14)/t11-/m1/s1
InChIKeyXEEINCQNTLRZAH-LLVKDONJSA-N
MW247.29 g/mol
LogP0.83
Rot. Bonds4

About ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 10857788) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID10857788
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Nameethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCCOC(=O)[C@](C)(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO5/c1-6-16-8(13)11(5,15)7-12-9(14)17-10(2,3)4/h15H,6-7H2,1-5H3,(H,12,14)/t11-/m1/s1
InChIKeyXEEINCQNTLRZAH-LLVKDONJSA-N
XLogP0.83
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 15933116
ethyl 3-hydroxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 88937635
ethyl 3-ethyl-2-hydroxy-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate
CID 173298296
tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 4114359
tert-butyl N-(2-ethyl-2-methylbutyl)carbamate
CID 90843997
diethyl (2R)-2-hydroxy-2-methylbutanedioate
CID 12732542
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
ethyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoate
CID 130277620
ethyl 2-hydroxy-3-methoxy-2-methylpropanoate
CID 20566521
tert-butyl N-(2-methyl-2-sulfanylpropyl)carbamate
CID 45092056
tert-butyl N-(2,3-diamino-2-methylpropyl)carbamate
CID 170622454

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 10857788) is ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CCOC(=O)[C@](C)(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is XEEINCQNTLRZAH-LLVKDONJSA-N. The full InChI is InChI=1S/C11H21NO5/c1-6-16-8(13)11(5,15)7-12-9(14)17-10(2,3)4/h15H,6-7H2,1-5H3,(H,12,14)/t11-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 247.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 10857788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).