[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C15H19ClN2O5 — CID 8909817

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O5/c1-3-10(2)17-15(21)18-13(19)8-23-14(20)9-22-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m0/s1
InChIKeyDPOMJSGRACXCOL-JTQLQIEISA-N
MW342.78 g/mol
LogP1.89
Rot. Bonds7

About [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 8909817) has the molecular formula C15H19ClN2O5 and a molecular weight of 342.78 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID8909817
Molecular FormulaC15H19ClN2O5
Molecular Weight342.78 g/mol
Exact Mass342.10
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cl
InChIInChI=1S/C15H19ClN2O5/c1-3-10(2)17-15(21)18-13(19)8-23-14(20)9-22-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m0/s1
InChIKeyDPOMJSGRACXCOL-JTQLQIEISA-N
XLogP1.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate with MolForge

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Related Compounds

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982140
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-benzylphenoxy)acetate
CID 9329396
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-nitrophenoxy)acetate
CID 7789096
N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
CID 8604340
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
CID 7775896
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525806
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 7847240
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2,4-dimethylphenoxy)acetate
CID 7815214
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(4-benzoylphenoxy)acetate
CID 8925625
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3R)-3-(carbamoylamino)-3-(2-chlorophenyl)propanoate
CID 7757990
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8924668
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593757

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 8909817) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is CC[C@H](C)NC(=O)NC(=O)COC(=O)COc1ccccc1Cl.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is DPOMJSGRACXCOL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19ClN2O5/c1-3-10(2)17-15(21)18-13(19)8-23-14(20)9-22-12-7-5-4-6-11(12)16/h4-7,10H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 342.78 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 8909817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).