tert-butyl 2-acetamidobutanoate

C10H19NO3 — CID 14390034

IUPACtert-butyl 2-acetamidobutanoate
SMILESCCC(NC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(11-7(2)12)9(13)14-10(3,4)5/h8H,6H2,1-5H3,(H,11,12)
InChIKeyBFQPOKSNSNXQSN-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.24
Rot. Bonds3

About tert-butyl 2-acetamidobutanoate

tert-butyl 2-acetamidobutanoate (PubChem CID 14390034) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl 2-acetamidobutanoate.

Molecular Properties

Compound Nametert-butyl 2-acetamidobutanoate
PubChem CID14390034
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl 2-acetamidobutanoate
SMILESCCC(NC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO3/c1-6-8(11-7(2)12)9(13)14-10(3,4)5/h8H,6H2,1-5H3,(H,11,12)
InChIKeyBFQPOKSNSNXQSN-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-hydrazinylbutanoate
CID 140972061
methyl (2S)-2-acetamidobutanoate
CID 11084154
ditert-butyl 2-acetamidopropanedioate
CID 11065617
tert-butyl 2-acetamido-3-phenylpropanoate
CID 70959830
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
CID 162513184
CID 162513184
propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 141391129
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 2755934
tert-butyl 2-(ethylamino)-3-hydroxypropanoate
CID 146238971
ditert-butyl (2S,4S)-2-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 102004003

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-acetamidobutanoate?
The IUPAC name of tert-butyl 2-acetamidobutanoate (CID 14390034) is tert-butyl 2-acetamidobutanoate.
What is the SMILES notation for tert-butyl 2-acetamidobutanoate?
The canonical SMILES for tert-butyl 2-acetamidobutanoate is CCC(NC(C)=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-acetamidobutanoate?
The InChIKey is BFQPOKSNSNXQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-8(11-7(2)12)9(13)14-10(3,4)5/h8H,6H2,1-5H3,(H,11,12).
What are the key properties of tert-butyl 2-acetamidobutanoate?
tert-butyl 2-acetamidobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-acetamidobutanoate is sourced from PubChem (CID 14390034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).