[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate

C17H24N2O4 — CID 2362069

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
SMILESCCc1ccc(C(=O)COC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11(3)15(19-17(18)22)16(21)23-10-14(20)13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H3,18,19,22)/t11-,15-/m0/s1
InChIKeyUUUGGBRRNZPRAH-NHYWBVRUSA-N
MW320.39 g/mol
LogP2.06
Rot. Bonds8

About [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate

[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate (PubChem CID 2362069) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
PubChem CID2362069
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate
SMILESCCc1ccc(C(=O)COC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1
InChIInChI=1S/C17H24N2O4/c1-4-11(3)15(19-17(18)22)16(21)23-10-14(20)13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H3,18,19,22)/t11-,15-/m0/s1
InChIKeyUUUGGBRRNZPRAH-NHYWBVRUSA-N
XLogP2.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate (CID 2362069) is [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate is CCc1ccc(C(=O)COC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate?
The InChIKey is UUUGGBRRNZPRAH-NHYWBVRUSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-4-11(3)15(19-17(18)22)16(21)23-10-14(20)13-8-6-12(5-2)7-9-13/h6-9,11,15H,4-5,10H2,1-3H3,(H3,18,19,22)/t11-,15-/m0/s1.
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate?
[2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate has a molecular weight of 320.39 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] (2S,3S)-2-(carbamoylamino)-3-methylpentanoate is sourced from PubChem (CID 2362069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).