methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate

C10H19NO3 — CID 58936819

IUPACmethyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate
SMILESCOC(=O)[C@H](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(9(13)14-5)6-8(12)11-10(2,3)4/h7H,6H2,1-5H3,(H,11,12)/t7-/m1/s1
InChIKeyHPFWFGNVYQQUND-SSDOTTSWSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds3

About methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate

methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate (PubChem CID 58936819) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate
PubChem CID58936819
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate
SMILESCOC(=O)[C@H](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-7(9(13)14-5)6-8(12)11-10(2,3)4/h7H,6H2,1-5H3,(H,11,12)/t7-/m1/s1
InChIKeyHPFWFGNVYQQUND-SSDOTTSWSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 4-acetamido-4-methylpentanoate
CID 154707019
ethyl 3-[N-(1,1-dimethylprop-2-ynyl)carbamoyl]propanoate
CID 2060325
Methyl 4-(butylamino)-2-methyl-4-oxobutanoate
CID 15757775
methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate
CID 15757776
2-(2-Methoxyethoxy)ethyl 4-(tert-butylamino)-4-oxobutanoate
CID 21027134
Methyl 3-[(4-methoxy-3,3-dimethyl-4-oxobutanoyl)amino]-2,2,3-trimethylbutanoate
CID 21357708
4-(2-Methylbutan-2-ylamino)-4-oxobutanoic acid
CID 43529280
Tert-butyl 4-(tert-butylamino)-4-oxobutanoate
CID 57667751
4-(2,3-Dimethylbutan-2-ylamino)-4-oxobutanoic acid
CID 58618165
(2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoic acid
CID 58936863
Ethyl 4-(tert-butylamino)-4-oxobutanoate
CID 59409477
Carbanide;methyl 4-(ethylamino)-3-methyl-4-oxobutanoate;yttrium
CID 59877356

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate?
The IUPAC name of methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate (CID 58936819) is methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate.
What is the SMILES notation for methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate?
The canonical SMILES for methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate is COC(=O)[C@H](C)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate?
The InChIKey is HPFWFGNVYQQUND-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(9(13)14-5)6-8(12)11-10(2,3)4/h7H,6H2,1-5H3,(H,11,12)/t7-/m1/s1.
What are the key properties of methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate?
methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(tert-butylamino)-2-methyl-4-oxobutanoate is sourced from PubChem (CID 58936819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).