[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

C11H14BrNO4 — CID 2573846

IUPAC[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC[C@H](C)NC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO4/c1-3-7(2)13-10(14)6-16-11(15)8-4-5-9(12)17-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyDXLULXKPFDSTMS-ZETCQYMHSA-N
MW304.14 g/mol
LogP2.11
Rot. Bonds5

About [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 2573846) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID2573846
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC[C@H](C)NC(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO4/c1-3-7(2)13-10(14)6-16-11(15)8-4-5-9(12)17-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyDXLULXKPFDSTMS-ZETCQYMHSA-N
XLogP2.11
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 50929506
[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014093
[2-[di(propan-2-yl)amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2390481
[2-(butan-2-ylamino)-2-oxoethyl] 5-amino-1-benzofuran-2-carboxylate
CID 61320981
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2573841
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 5-bromofuran-2-carboxylate
CID 7716846
[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201621
[2-(butan-2-ylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195539
4-O-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7296484
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 5-bromofuran-2-carboxylate
CID 18081951
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 7950545

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 2573846) is [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is CC[C@H](C)NC(=O)COC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is DXLULXKPFDSTMS-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-3-7(2)13-10(14)6-16-11(15)8-4-5-9(12)17-8/h4-5,7H,3,6H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 304.14 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2573846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).