[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate

C13H16N2O5 — CID 8910633

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)O[C@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C13H16N2O5/c1-8-4-3-5-10(6-8)19-7-11(16)20-9(2)12(17)15-13(14)18/h3-6,9H,7H2,1-2H3,(H3,14,15,17,18)/t9-/m1/s1
InChIKeyQBECKHSBRACNBJ-SECBINFHSA-N
MW280.28 g/mol
LogP0.50
Rot. Bonds5

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate (PubChem CID 8910633) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
PubChem CID8910633
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
SMILESCc1cccc(OCC(=O)O[C@H](C)C(=O)NC(N)=O)c1
InChIInChI=1S/C13H16N2O5/c1-8-4-3-5-10(6-8)19-7-11(16)20-9(2)12(17)15-13(14)18/h3-6,9H,7H2,1-2H3,(H3,14,15,17,18)/t9-/m1/s1
InChIKeyQBECKHSBRACNBJ-SECBINFHSA-N
XLogP0.50
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3,5-dimethylphenoxy)acetate
CID 7853776
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 42901482
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 2594631
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814595
[2-(carbamoylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 7853444
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 7853365
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(3-methylphenoxy)propanoate
CID 7840296
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(4-cyanophenoxy)acetate
CID 2078238
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-methylphenoxy)propanoate
CID 9139385
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate
CID 4264667
[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate
CID 8910556
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(3-aminophenoxy)acetate
CID 61321535

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate (CID 8910633) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate is Cc1cccc(OCC(=O)O[C@H](C)C(=O)NC(N)=O)c1.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate?
The InChIKey is QBECKHSBRACNBJ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-8-4-3-5-10(6-8)19-7-11(16)20-9(2)12(17)15-13(14)18/h3-6,9H,7H2,1-2H3,(H3,14,15,17,18)/t9-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate has a molecular weight of 280.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(3-methylphenoxy)acetate is sourced from PubChem (CID 8910633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).