[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

C17H22N2O4 — CID 8535885

IUPAC[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H22N2O4/c1-11(16(21)19-17(22)18-2)23-15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-/m0/s1
InChIKeyBUTQQVKWEQVUDW-NSHDSACASA-N
MW318.37 g/mol
LogP1.50
Rot. Bonds4

About [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (PubChem CID 8535885) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.

Molecular Properties

Compound Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
PubChem CID8535885
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
SMILESCNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H22N2O4/c1-11(16(21)19-17(22)18-2)23-15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-/m0/s1
InChIKeyBUTQQVKWEQVUDW-NSHDSACASA-N
XLogP1.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate with MolForge

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Related Compounds

[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010397
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535455
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8949828
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(4-piperidin-1-ylsulfonylphenyl)acetate
CID 7555478
[(2R)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yl)acetate
CID 8950186
[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8535807
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 8957417
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-bromophenyl)acetate
CID 55416882
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738345
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-tert-butylphenyl)propanoate
CID 8506828
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylate
CID 15945194

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The IUPAC name of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate (CID 8535885) is [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate.
What is the SMILES notation for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The canonical SMILES for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is CNC(=O)NC(=O)[C@H](C)OC(=O)Cc1ccc2c(c1)CCCC2.
What is the InChIKey of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
The InChIKey is BUTQQVKWEQVUDW-NSHDSACASA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(16(21)19-17(22)18-2)23-15(20)10-12-7-8-13-5-3-4-6-14(13)9-12/h7-9,11H,3-6,10H2,1-2H3,(H2,18,19,21,22)/t11-/m0/s1.
What are the key properties of [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate?
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate has a molecular weight of 318.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate is sourced from PubChem (CID 8535885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).