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

C8H15NO3 — CID 15606037

IUPACethyl (2S)-3-acetamido-2-methylpropanoate
SMILESCCOC(=O)[C@@H](C)CNC(C)=O
InChIInChI=1S/C8H15NO3/c1-4-12-8(11)6(2)5-9-7(3)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeySMEHBLNGYDXXRK-LURJTMIESA-N
MW173.21 g/mol
LogP0.32
Rot. Bonds4

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

ethyl (2S)-3-acetamido-2-methylpropanoate (PubChem CID 15606037) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2S)-3-acetamido-2-methylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-3-acetamido-2-methylpropanoate
PubChem CID15606037
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2S)-3-acetamido-2-methylpropanoate
SMILESCCOC(=O)[C@@H](C)CNC(C)=O
InChIInChI=1S/C8H15NO3/c1-4-12-8(11)6(2)5-9-7(3)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1
InChIKeySMEHBLNGYDXXRK-LURJTMIESA-N
XLogP0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2S)-3-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylpropanoate
CID 86326306
ethyl 3-(ethoxyamino)-2-methylpropanoate
CID 64974924
ethyl 3-[(1-aminocyclopropanecarbonyl)amino]-2-methylpropanoate
CID 119789223
ethyl 3-[(2-amino-3-methylpentanoyl)amino]-2-methylpropanoate
CID 119789263
ethyl 2-methoxycarbonyloxypropanoate
CID 14620012
ethyl (2S)-3-[[ethyl(propan-2-yl)carbamoyl]amino]-2-methylpropanoate
CID 97334966
ethyl 3-(2-aminoethylamino)-2-methylpropanoate
CID 20551192
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
acetamidomethyl 2-methylbutanoate
CID 134215885
ethyl 3-[(2-amino-2-oxoethoxy)amino]-2-methylpropanoate
CID 112674000
ethane;ethyl 2-methylbutanoate
CID 144747106
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-acetamido-2-methylpropanoate?
The IUPAC name of ethyl (2S)-3-acetamido-2-methylpropanoate (CID 15606037) is ethyl (2S)-3-acetamido-2-methylpropanoate.
What is the SMILES notation for ethyl (2S)-3-acetamido-2-methylpropanoate?
The canonical SMILES for ethyl (2S)-3-acetamido-2-methylpropanoate is CCOC(=O)[C@@H](C)CNC(C)=O.
What is the InChIKey of ethyl (2S)-3-acetamido-2-methylpropanoate?
The InChIKey is SMEHBLNGYDXXRK-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-12-8(11)6(2)5-9-7(3)10/h6H,4-5H2,1-3H3,(H,9,10)/t6-/m0/s1.
What are the key properties of ethyl (2S)-3-acetamido-2-methylpropanoate?
ethyl (2S)-3-acetamido-2-methylpropanoate has a molecular weight of 173.21 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-acetamido-2-methylpropanoate is sourced from PubChem (CID 15606037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).