[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate

C15H17N3O4 — CID 8606926

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate
SMILESCC(C)[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O4/c1-8(2)12(13(19)18-15(16)21)22-14(20)10-7-17-11-6-4-3-5-9(10)11/h3-8,12,17H,1-2H3,(H3,16,18,19,21)/t12-/m1/s1
InChIKeyBDUPSXYNNUCYQE-GFCCVEGCSA-N
MW303.32 g/mol
LogP1.54
Rot. Bonds4

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate (PubChem CID 8606926) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate
PubChem CID8606926
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate
SMILESCC(C)[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NC(N)=O
InChIInChI=1S/C15H17N3O4/c1-8(2)12(13(19)18-15(16)21)22-14(20)10-7-17-11-6-4-3-5-9(10)11/h3-8,12,17H,1-2H3,(H3,16,18,19,21)/t12-/m1/s1
InChIKeyBDUPSXYNNUCYQE-GFCCVEGCSA-N
XLogP1.54
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chlorobenzoate
CID 7866412
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927187
[(1R)-1-phenylethyl] 1H-indole-3-carboxylate
CID 8607675
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-chloroquinoline-4-carboxylate
CID 9009588
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7493007
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(methanesulfonamido)benzoate
CID 7740648
[(1R)-1-cyanoethyl] 1H-indole-3-carboxylate
CID 7889014
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-phenylbenzoate
CID 18080375
[(2R)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9066538
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 9382459
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-fluorobenzoate
CID 7478298

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate (CID 8606926) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate is CC(C)[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate?
The InChIKey is BDUPSXYNNUCYQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-8(2)12(13(19)18-15(16)21)22-14(20)10-7-17-11-6-4-3-5-9(10)11/h3-8,12,17H,1-2H3,(H3,16,18,19,21)/t12-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 1H-indole-3-carboxylate is sourced from PubChem (CID 8606926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).