[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate

C17H22N2O4 — CID 7722501

IUPAC[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-18-17(22)19-16(21)15(13-9-3-2-4-10-13)23-14(20)11-12-7-5-6-8-12/h2-4,9-10,12,15H,5-8,11H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeyDKDQGKASYROGSR-HNNXBMFYSA-N
MW318.37 g/mol
LogP2.31
Rot. Bonds5

About [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate

[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate (PubChem CID 7722501) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
PubChem CID7722501
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
SMILESCNC(=O)NC(=O)[C@@H](OC(=O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-18-17(22)19-16(21)15(13-9-3-2-4-10-13)23-14(20)11-12-7-5-6-8-12/h2-4,9-10,12,15H,5-8,11H2,1H3,(H2,18,19,21,22)/t15-/m0/s1
InChIKeyDKDQGKASYROGSR-HNNXBMFYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-methoxyacetate
CID 7776199
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] (3R)-3-phenylbutanoate
CID 7228141
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1-adamantyl)acetate
CID 7695835
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8724938
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8724943
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 7597072
[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate
CID 7722308
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676495
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(2-methylphenyl)sulfanylacetate
CID 7229689
[2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] adamantane-2-carboxylate
CID 46813921
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-naphthalen-2-ylsulfanylacetate
CID 7795814
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetate
CID 31571041

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The IUPAC name of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate (CID 7722501) is [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate.
What is the SMILES notation for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The canonical SMILES for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate is CNC(=O)NC(=O)[C@@H](OC(=O)CC1CCCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
The InChIKey is DKDQGKASYROGSR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-18-17(22)19-16(21)15(13-9-3-2-4-10-13)23-14(20)11-12-7-5-6-8-12/h2-4,9-10,12,15H,5-8,11H2,1H3,(H2,18,19,21,22)/t15-/m0/s1.
What are the key properties of [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate?
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate has a molecular weight of 318.37 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-cyclopentylacetate is sourced from PubChem (CID 7722501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).