[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

C15H20N2O4 — CID 7772578

IUPAC[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-10(2)13(11-7-5-4-6-8-11)14(19)21-9-12(18)17-15(16)20/h4-8,10,13H,3,9H2,1-2H3,(H3,16,17,18,20)/t10-,13-/m1/s1
InChIKeyQMGQJBFJXMFHOM-ZWNOBZJWSA-N
MW292.34 g/mol
LogP1.55
Rot. Bonds6

About [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate

[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (PubChem CID 7772578) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
PubChem CID7772578
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
SMILESCC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(N)=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-3-10(2)13(11-7-5-4-6-8-11)14(19)21-9-12(18)17-15(16)20/h4-8,10,13H,3,9H2,1-2H3,(H3,16,17,18,20)/t10-,13-/m1/s1
InChIKeyQMGQJBFJXMFHOM-ZWNOBZJWSA-N
XLogP1.55
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772689
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
[2-oxo-2-(phenylcarbamoylamino)ethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 8970656
[2-(4-acetamidoanilino)-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7773183
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772337
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772763
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
[2-(2-chloroanilino)-2-oxoethyl] (2R,3S)-3-methyl-2-phenylpentanoate
CID 7772957
[2-(2,5-dimethylanilino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7773023
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772104

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate (CID 7772578) is [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is CC[C@@H](C)[C@@H](C(=O)OCC(=O)NC(N)=O)c1ccccc1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
The InChIKey is QMGQJBFJXMFHOM-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-10(2)13(11-7-5-4-6-8-11)14(19)21-9-12(18)17-15(16)20/h4-8,10,13H,3,9H2,1-2H3,(H3,16,17,18,20)/t10-,13-/m1/s1.
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate?
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate has a molecular weight of 292.34 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate is sourced from PubChem (CID 7772578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).