[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

C11H16N4O4 — CID 30237813

IUPAC[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)NC(N)=O)n1
InChIInChI=1S/C11H16N4O4/c1-7-5-8(2)15(14-7)4-3-10(17)19-6-9(16)13-11(12)18/h5H,3-4,6H2,1-2H3,(H3,12,13,16,18)
InChIKeyUFEAAMBXLLHWKJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.37
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate

[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (PubChem CID 30237813) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
PubChem CID30237813
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
SMILESCc1cc(C)n(CCC(=O)OCC(=O)NC(N)=O)n1
InChIInChI=1S/C11H16N4O4/c1-7-5-8(2)15(14-7)4-3-10(17)19-6-9(16)13-11(12)18/h5H,3-4,6H2,1-2H3,(H3,12,13,16,18)
InChIKeyUFEAAMBXLLHWKJ-UHFFFAOYSA-N
XLogP-0.37
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]propanoate
CID 60727791
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55505462
methyl 1-[2-[3-(3,5-dimethylpyrazol-1-yl)propanoyloxy]acetyl]piperidine-4-carboxylate
CID 55506189
3-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethoxy)propanamide
CID 79675653
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55547413
ethyl 2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]acetate
CID 129359467
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 43171953
3-phenoxypropyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55568167
(2,5-dimethylphenyl)methyl 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562950
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxypropyl)propanamide
CID 43418241
[2-(3-methyl-1-benzothiophen-2-yl)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55561936

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate (CID 30237813) is [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is Cc1cc(C)n(CCC(=O)OCC(=O)NC(N)=O)n1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
The InChIKey is UFEAAMBXLLHWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-5-8(2)15(14-7)4-3-10(17)19-6-9(16)13-11(12)18/h5H,3-4,6H2,1-2H3,(H3,12,13,16,18).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate?
[2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate has a molecular weight of 268.27 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 3-(3,5-dimethylpyrazol-1-yl)propanoate is sourced from PubChem (CID 30237813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).