[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate

C14H18N2O4 — CID 7782484

IUPAC[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-8(2)14(19)20-9(3)13(18)16-11-6-4-10(5-7-11)12(15)17/h4-9H,1-3H3,(H2,15,17)(H,16,18)/t9-/m0/s1
InChIKeyWPIUYRXZJIPFLG-VIFPVBQESA-N
MW278.31 g/mol
LogP1.31
Rot. Bonds5

About [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate (PubChem CID 7782484) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
PubChem CID7782484
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-8(2)14(19)20-9(3)13(18)16-11-6-4-10(5-7-11)12(15)17/h4-9H,1-3H3,(H2,15,17)(H,16,18)/t9-/m0/s1
InChIKeyWPIUYRXZJIPFLG-VIFPVBQESA-N
XLogP1.31
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782489
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782483
[1-(4-carbamoylanilino)-1-oxopropan-2-yl] (E)-but-2-enoate
CID 24652408
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] (2S)-2-phenylsulfanylpropanoate
CID 7806555
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 1-oxidopyridin-1-ium-4-carboxylate
CID 8792159
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-propan-2-yloxybenzoate
CID 7210477
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 7796305
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] cyclohexanecarboxylate
CID 40609067
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842519
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751738
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-ethoxybenzoate
CID 7751736
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-(2-methoxyphenyl)acetate
CID 40661947

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The IUPAC name of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate (CID 7782484) is [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate.
What is the SMILES notation for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The canonical SMILES for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate is CC(C)C(=O)O[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
The InChIKey is WPIUYRXZJIPFLG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8(2)14(19)20-9(3)13(18)16-11-6-4-10(5-7-11)12(15)17/h4-9H,1-3H3,(H2,15,17)(H,16,18)/t9-/m0/s1.
What are the key properties of [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate?
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate has a molecular weight of 278.31 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate is sourced from PubChem (CID 7782484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).