[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate

C16H22N2O5 — CID 7840296

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-10(2)14(15(20)18-16(17)21)23-13(19)7-8-22-12-6-4-5-11(3)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H3,17,18,20,21)/t14-/m1/s1
InChIKeyJUQCDLQTUSZXBC-CQSZACIVSA-N
MW322.36 g/mol
LogP1.53
Rot. Bonds7

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate (PubChem CID 7840296) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
PubChem CID7840296
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
SMILESCc1cccc(OCCC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-10(2)14(15(20)18-16(17)21)23-13(19)7-8-22-12-6-4-5-11(3)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H3,17,18,20,21)/t14-/m1/s1
InChIKeyJUQCDLQTUSZXBC-CQSZACIVSA-N
XLogP1.53
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate with MolForge

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Related Compounds

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855981
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 8910633
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139385
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840308
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918373
(2R)-2-(carbamoylamino)-3-methyl-N-[3-(3-methylphenoxy)propyl]butanamide
CID 35888216
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(2-amino-2-oxoethoxy)benzoate
CID 55567972
[1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate
CID 18287800
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate
CID 4264667
[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139387
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885545

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate (CID 7840296) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate is Cc1cccc(OCCC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)c1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate?
The InChIKey is JUQCDLQTUSZXBC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10(2)14(15(20)18-16(17)21)23-13(19)7-8-22-12-6-4-5-11(3)9-12/h4-6,9-10,14H,7-8H2,1-3H3,(H3,17,18,20,21)/t14-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate has a molecular weight of 322.36 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate is sourced from PubChem (CID 7840296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).