[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate

C12H16N2O4S — CID 29353828

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
SMILESC[C@@H](OC(=O)CCCc1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4S/c1-8(11(16)14-12(13)17)18-10(15)6-2-4-9-5-3-7-19-9/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,16,17)/t8-/m1/s1
InChIKeyHRRAPWVRNAWRHH-MRVPVSSYSA-N
MW284.34 g/mol
LogP1.20
Rot. Bonds6

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate (PubChem CID 29353828) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
PubChem CID29353828
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
SMILESC[C@@H](OC(=O)CCCc1cccs1)C(=O)NC(N)=O
InChIInChI=1S/C12H16N2O4S/c1-8(11(16)14-12(13)17)18-10(15)6-2-4-9-5-3-7-19-9/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,16,17)/t8-/m1/s1
InChIKeyHRRAPWVRNAWRHH-MRVPVSSYSA-N
XLogP1.20
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962650
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962685
[(2R)-1-(1-adamantylcarbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 9483969
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 46623607
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 7962712
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 4-thiophen-2-ylbutanoate
CID 7962901
[1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-thiophen-2-ylpropanoate
CID 55359259
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
[1-(carbamoylamino)-1-oxopropan-2-yl] 4-(3-bromophenoxy)butanoate
CID 4264667
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
propan-2-yl 3-[[N'-(2-thiophen-2-ylethyl)carbamimidoyl]amino]propanoate;hydroiodide
CID 111037107
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 4-thiophen-2-ylbutanoate
CID 7962575

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate (CID 29353828) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate is C[C@@H](OC(=O)CCCc1cccs1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate?
The InChIKey is HRRAPWVRNAWRHH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-8(11(16)14-12(13)17)18-10(15)6-2-4-9-5-3-7-19-9/h3,5,7-8H,2,4,6H2,1H3,(H3,13,14,16,17)/t8-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate has a molecular weight of 284.34 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate is sourced from PubChem (CID 29353828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).