[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

C20H29N3O4 — CID 7616940

IUPAC[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H29N3O4/c1-14(2)18(22-20(26)21-16-10-5-4-6-11-16)19(25)27-13-17(24)23-12-8-7-9-15(23)3/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3,(H2,21,22,26)/t15-,18-/m1/s1
InChIKeyLPIWACDCGLHPFF-CRAIPNDOSA-N
MW375.47 g/mol
LogP2.78
Rot. Bonds6

About [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate

[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (PubChem CID 7616940) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.

Molecular Properties

Compound Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
PubChem CID7616940
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
SMILESCC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCCC[C@H]1C
InChIInChI=1S/C20H29N3O4/c1-14(2)18(22-20(26)21-16-10-5-4-6-11-16)19(25)27-13-17(24)23-12-8-7-9-15(23)3/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3,(H2,21,22,26)/t15-,18-/m1/s1
InChIKeyLPIWACDCGLHPFF-CRAIPNDOSA-N
XLogP2.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate with MolForge

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Related Compounds

[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616948
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616874
(2-amino-2-oxoethyl) (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617134
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617015
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]propanoate
CID 55307063
1-[(2S)-1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 95269574
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981946
1-[1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-phenylurea
CID 55566978
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 2582023
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
[2-(2-methoxyethylamino)-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7616904

Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The IUPAC name of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate (CID 7616940) is [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate.
What is the SMILES notation for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The canonical SMILES for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)OCC(=O)N1CCCC[C@H]1C.
What is the InChIKey of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
The InChIKey is LPIWACDCGLHPFF-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14(2)18(22-20(26)21-16-10-5-4-6-11-16)19(25)27-13-17(24)23-12-8-7-9-15(23)3/h4-6,10-11,14-15,18H,7-9,12-13H2,1-3H3,(H2,21,22,26)/t15-,18-/m1/s1.
What are the key properties of [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate?
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate has a molecular weight of 375.47 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] (2R)-3-methyl-2-(phenylcarbamoylamino)butanoate is sourced from PubChem (CID 7616940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).