[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate

C15H21NO3 — CID 2519664

IUPAC[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCC[C@@H](C)NC(=O)COC(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H21NO3/c1-5-12(4)16-14(17)9-19-15(18)13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyZYBLHRNMGHXEAY-GFCCVEGCSA-N
MW263.34 g/mol
LogP2.37
Rot. Bonds5

About [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate (PubChem CID 2519664) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate.

Molecular Properties

Compound Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
PubChem CID2519664
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
SMILESCC[C@@H](C)NC(=O)COC(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H21NO3/c1-5-12(4)16-14(17)9-19-15(18)13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)/t12-/m1/s1
InChIKeyZYBLHRNMGHXEAY-GFCCVEGCSA-N
XLogP2.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate with MolForge

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Related Compounds

[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2611575
[2-(butan-2-ylamino)-2-oxoethyl] 2-methyl-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 42968167
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 2563385
[2-(benzhydrylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519942
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(2,5-dimethylphenyl)sulfonyloxybenzoate
CID 2535122
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 7747579
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771951
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229107
[2-(butan-2-ylamino)-2-oxoethyl] 5-(cyclopropylsulfamoyl)-2-methylbenzoate
CID 46679679
[2-(carbamoylamino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519687
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444568

Frequently Asked Questions

What is the IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The IUPAC name of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate (CID 2519664) is [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate.
What is the SMILES notation for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The canonical SMILES for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate is CC[C@@H](C)NC(=O)COC(=O)c1cc(C)ccc1C.
What is the InChIKey of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate?
The InChIKey is ZYBLHRNMGHXEAY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21NO3/c1-5-12(4)16-14(17)9-19-15(18)13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H,16,17)/t12-/m1/s1.
What are the key properties of [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate?
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate is sourced from PubChem (CID 2519664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).