[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate

C12H14N2O4 — CID 11075874

IUPAC[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H14N2O4/c1-7(18-8(2)15)12(17)14-10-6-4-3-5-9(10)11(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)/t7-/m0/s1
InChIKeyYCMXMILDVXDFES-ZETCQYMHSA-N
MW250.25 g/mol
LogP0.68
Rot. Bonds4

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

[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate (PubChem CID 11075874) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
PubChem CID11075874
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate
SMILESCC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H14N2O4/c1-7(18-8(2)15)12(17)14-10-6-4-3-5-9(10)11(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)/t7-/m0/s1
InChIKeyYCMXMILDVXDFES-ZETCQYMHSA-N
XLogP0.68
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
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2-[[(2R)-2-phenoxypropanoyl]amino]benzamide
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2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
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2-[[(2R)-2-(4-tert-butylphenoxy)propanoyl]amino]benzamide
CID 2216687
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051
[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] 2-methylsulfanylbenzoate
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2-(2-ethylbutanoylamino)benzamide
CID 1214109
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
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CID 43128232

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate?
The IUPAC name of [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate (CID 11075874) is [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate.
What is the SMILES notation for [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate?
The canonical SMILES for [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate is CC(=O)O[C@@H](C)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate?
The InChIKey is YCMXMILDVXDFES-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(18-8(2)15)12(17)14-10-6-4-3-5-9(10)11(13)16/h3-7H,1-2H3,(H2,13,16)(H,14,17)/t7-/m0/s1.
What are the key properties of [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate?
[(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate has a molecular weight of 250.25 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-carbamoylanilino)-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 11075874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).