ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate

C11H21NO3 — CID 101214772

IUPACethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate
SMILESCCOC(=O)[C@@](CC)(NC(C)=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-11(8(3)4,12-9(5)13)10(14)15-7-2/h8H,6-7H2,1-5H3,(H,12,13)/t11-/m0/s1
InChIKeyKUUOBVDZKMBHOV-NSHDSACASA-N
MW215.29 g/mol
LogP1.49
Rot. Bonds5

About ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate

ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate (PubChem CID 101214772) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate.

Molecular Properties

Compound Nameethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate
PubChem CID101214772
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate
SMILESCCOC(=O)[C@@](CC)(NC(C)=O)C(C)C
InChIInChI=1S/C11H21NO3/c1-6-11(8(3)4,12-9(5)13)10(14)15-7-2/h8H,6-7H2,1-5H3,(H,12,13)/t11-/m0/s1
InChIKeyKUUOBVDZKMBHOV-NSHDSACASA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
methyl (2S,3S)-2-acetamido-2-ethyl-3-hydroxy-4-methylpentanoate
CID 11322199
(2R)-2-ethyl-2-[[(2R)-2-methoxypropanoyl]amino]-3-methylbutanamide
CID 97348922
ethyl 4-acetamido-4,5-dimethyl-3-oxohexanoate
CID 18680185
diethyl 2-acetamido-2-[(E)-2-methoxyethenyl]propanedioate
CID 11011158
3-acetamido-3-ethyl-4-methylpentanamide
CID 163651386
ethyl (2R)-2-acetamido-3,3,3-trifluoro-2-hydroxypropanoate
CID 7037438
ethyl (2S)-2-acetamido-3,3,3-trifluoro-2-(2-methylpropoxy)propanoate
CID 40526838
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
1-O-acetyl 3-O-ethyl 2-ethyl-2-propan-2-ylpropanedioate
CID 118967839
ethyl 4-methoxy-2,2-dimethyl-3-oxopentanoate
CID 79616726
ethyl 2-acetamido-2-[(3,3-difluorocyclobutyl)methyl]butanoate
CID 58246758

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate?
The IUPAC name of ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate (CID 101214772) is ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate.
What is the SMILES notation for ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate?
The canonical SMILES for ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate is CCOC(=O)[C@@](CC)(NC(C)=O)C(C)C.
What is the InChIKey of ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate?
The InChIKey is KUUOBVDZKMBHOV-NSHDSACASA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-11(8(3)4,12-9(5)13)10(14)15-7-2/h8H,6-7H2,1-5H3,(H,12,13)/t11-/m0/s1.
What are the key properties of ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate?
ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate has a molecular weight of 215.29 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-acetamido-2-ethyl-3-methylbutanoate is sourced from PubChem (CID 101214772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).