[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate

C16H22N2O4 — CID 7783131

IUPAC[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
SMILESCCC[C@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-3-7-12(2)18-14(19)11-22-15(20)10-17-16(21)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyZIOLLSFYZZMSLW-LBPRGKRZSA-N
MW306.36 g/mol
LogP1.26
Rot. Bonds8

About [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate

[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate (PubChem CID 7783131) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
PubChem CID7783131
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
SMILESCCC[C@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H22N2O4/c1-3-7-12(2)18-14(19)11-22-15(20)10-17-16(21)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21)(H,18,19)/t12-/m0/s1
InChIKeyZIOLLSFYZZMSLW-LBPRGKRZSA-N
XLogP1.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807753
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 42964227
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-[2-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-benzamidoacetate
CID 7889644
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidobenzoate
CID 2662915
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884921
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate?
The IUPAC name of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate (CID 7783131) is [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate?
The canonical SMILES for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate is CCC[C@H](C)NC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate?
The InChIKey is ZIOLLSFYZZMSLW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-3-7-12(2)18-14(19)11-22-15(20)10-17-16(21)13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,21)(H,18,19)/t12-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate?
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate has a molecular weight of 306.36 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate is sourced from PubChem (CID 7783131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).