[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate

C13H22N2O5 — CID 8018744

IUPAC[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O5/c1-9(20-11(16)8-19-2)12(17)15-13(18)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,17,18)/t9-/m0/s1
InChIKeyINQMEDBFAOOUBI-VIFPVBQESA-N
MW286.33 g/mol
LogP0.72
Rot. Bonds5

About [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate (PubChem CID 8018744) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate.

Molecular Properties

Compound Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
PubChem CID8018744
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate
SMILESCOCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C13H22N2O5/c1-9(20-11(16)8-19-2)12(17)15-13(18)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,17,18)/t9-/m0/s1
InChIKeyINQMEDBFAOOUBI-VIFPVBQESA-N
XLogP0.72
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-ethoxyacetate
CID 8709428
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] cyclopropanecarboxylate
CID 7863511
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 4-(methoxymethyl)benzoate
CID 55358871
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 8013712
cis-[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (1S,2R)-2-methylcyclopropane-1-carboxylate
CID 11921069
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-methylphenyl)acetate
CID 9063212
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 11909809

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The IUPAC name of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate (CID 8018744) is [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate.
What is the SMILES notation for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The canonical SMILES for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate is COCC(=O)O[C@@H](C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
The InChIKey is INQMEDBFAOOUBI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9(20-11(16)8-19-2)12(17)15-13(18)14-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,14,15,17,18)/t9-/m0/s1.
What are the key properties of [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate?
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate has a molecular weight of 286.33 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-methoxyacetate is sourced from PubChem (CID 8018744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).