[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate

C13H24N4O5 — CID 4832385

IUPAC[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H24N4O5/c1-7(2)5-9(16-12(14)20)11(19)22-6-10(18)17-13(21)15-8(3)4/h7-9H,5-6H2,1-4H3,(H3,14,16,20)(H2,15,17,18,21)
InChIKeyOYVPVMMLGSMGGT-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.15
Rot. Bonds7

About [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate (PubChem CID 4832385) has the molecular formula C13H24N4O5 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate
PubChem CID4832385
Molecular FormulaC13H24N4O5
Molecular Weight316.36 g/mol
Exact Mass316.17
IUPAC Name[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate
SMILESCC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC(C)C
InChIInChI=1S/C13H24N4O5/c1-7(2)5-9(16-12(14)20)11(19)22-6-10(18)17-13(21)15-8(3)4/h7-9H,5-6H2,1-4H3,(H3,14,16,20)(H2,15,17,18,21)
InChIKeyOYVPVMMLGSMGGT-UHFFFAOYSA-N
XLogP-0.15
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7648812
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylpentanoate
CID 2409785
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] (2R)-2-(carbamoylamino)-4-methylpentanoate
CID 2409784
[2-(methylcarbamoylamino)-2-oxoethyl] (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 7351586
1-O-ethyl 4-O-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-but-2-enedioate
CID 6054436
ethyl 2-[[2-[(2R)-2-(carbamoylamino)-4-methylpentanoyl]oxyacetyl]amino]benzoate
CID 7990905
2-[[2-(carbamoylamino)-4-methylpentanoyl]amino]oxyacetic acid
CID 63929707
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S)-2-(4-bromophenoxy)propanoate
CID 7742947
(2-acetamido-2-oxoethyl) (2R)-2-[(4-chlorobenzoyl)amino]-4-methylpentanoate
CID 2128639
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 7772303
2-(carbamoylamino)-N-ethyl-4-methylpentanamide
CID 60636503
2-(carbamoylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylpentanamide
CID 107847321

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate?
The IUPAC name of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate (CID 4832385) is [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate is CC(C)CC(NC(N)=O)C(=O)OCC(=O)NC(=O)NC(C)C.
What is the InChIKey of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate?
The InChIKey is OYVPVMMLGSMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O5/c1-7(2)5-9(16-12(14)20)11(19)22-6-10(18)17-13(21)15-8(3)4/h7-9H,5-6H2,1-4H3,(H3,14,16,20)(H2,15,17,18,21).
What are the key properties of [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate?
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate has a molecular weight of 316.36 g/mol, XLogP of -0.15, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(carbamoylamino)-4-methylpentanoate is sourced from PubChem (CID 4832385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).