[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate

C14H17ClN2O4 — CID 7775896

IUPAC[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-3-9(2)16-14(20)17-12(18)8-21-13(19)10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m0/s1
InChIKeyYFCUEKUHWNIBPJ-VIFPVBQESA-N
MW312.75 g/mol
LogP2.12
Rot. Bonds5

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

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate (PubChem CID 7775896) has the molecular formula C14H17ClN2O4 and a molecular weight of 312.75 g/mol. Its IUPAC name is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
PubChem CID7775896
Molecular FormulaC14H17ClN2O4
Molecular Weight312.75 g/mol
Exact Mass312.09
IUPAC Name[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate
SMILESCC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1Cl
InChIInChI=1S/C14H17ClN2O4/c1-3-9(2)16-14(20)17-12(18)8-21-13(19)10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m0/s1
InChIKeyYFCUEKUHWNIBPJ-VIFPVBQESA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-bromobenzoate
CID 7775435
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(R)-methylsulfinyl]benzoate
CID 11927306
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927308
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(difluoromethylsulfanyl)benzoate
CID 8984222
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate
CID 7806947
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909817
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 1-methylindole-3-carboxylate
CID 8817073
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878775
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878774
[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-hydroxy-5-methylbenzoate
CID 7771951
N-[[(2R)-butan-2-yl]carbamoyl]-2-(2,3-dichlorophenoxy)acetamide
CID 8604340

Frequently Asked Questions

What is the IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate?
The IUPAC name of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate (CID 7775896) is [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate?
The canonical SMILES for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate is CC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccccc1Cl.
What is the InChIKey of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate?
The InChIKey is YFCUEKUHWNIBPJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17ClN2O4/c1-3-9(2)16-14(20)17-12(18)8-21-13(19)10-6-4-5-7-11(10)15/h4-7,9H,3,8H2,1-2H3,(H2,16,17,18,20)/t9-/m0/s1.
What are the key properties of [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate?
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate has a molecular weight of 312.75 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chlorobenzoate is sourced from PubChem (CID 7775896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).