[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate

C19H28N2O5 — CID 7855981

IUPAC[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)[C@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H28N2O5/c1-12(2)16(17(23)21-18(20)24)26-15(22)10-11-25-14-8-6-13(7-9-14)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H3,20,21,23,24)/t16-/m0/s1
InChIKeyWUAWZIKGNKPNQP-INIZCTEOSA-N
MW364.44 g/mol
LogP2.52
Rot. Bonds7

About [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate

[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate (PubChem CID 7855981) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate.

Molecular Properties

Compound Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate
PubChem CID7855981
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate
SMILESCC(C)[C@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O
InChIInChI=1S/C19H28N2O5/c1-12(2)16(17(23)21-18(20)24)26-15(22)10-11-25-14-8-6-13(7-9-14)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H3,20,21,23,24)/t16-/m0/s1
InChIKeyWUAWZIKGNKPNQP-INIZCTEOSA-N
XLogP2.52
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate with MolForge

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Related Compounds

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840296
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-methoxyphenoxy)acetate
CID 7846762
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-phenoxyacetate
CID 7980312
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(4-benzoylphenoxy)acetate
CID 7839628
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855941
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855940
4-(4-tert-butylphenoxy)butanamide
CID 82041345
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855990
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(4-tert-butylphenoxy)butanoate
CID 7147575
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2-propoxyphenoxy)acetate
CID 7791151
[(2S)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 8744157
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918373

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate?
The IUPAC name of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate (CID 7855981) is [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate.
What is the SMILES notation for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate?
The canonical SMILES for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate is CC(C)[C@H](OC(=O)CCOc1ccc(C(C)(C)C)cc1)C(=O)NC(N)=O.
What is the InChIKey of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate?
The InChIKey is WUAWZIKGNKPNQP-INIZCTEOSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12(2)16(17(23)21-18(20)24)26-15(22)10-11-25-14-8-6-13(7-9-14)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H3,20,21,23,24)/t16-/m0/s1.
What are the key properties of [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate?
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate has a molecular weight of 364.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(4-tert-butylphenoxy)propanoate is sourced from PubChem (CID 7855981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).