[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate

C17H22N2O4 — CID 2638280

IUPAC[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-11(16(21)19-14-7-3-4-8-14)23-17(22)13-6-5-9-15(10-13)18-12(2)20/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyTZAQIUNGQLGDAR-LLVKDONJSA-N
MW318.37 g/mol
LogP2.25
Rot. Bonds5

About [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate

[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate (PubChem CID 2638280) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
PubChem CID2638280
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-11(16(21)19-14-7-3-4-8-14)23-17(22)13-6-5-9-15(10-13)18-12(2)20/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeyTZAQIUNGQLGDAR-LLVKDONJSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate 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

[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 55380108
bis[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] benzene-1,3-dicarboxylate
CID 9016814
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chlorobenzoate
CID 7838656
[1-(cyclohexylamino)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 17483187
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 7842363
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-phenoxybenzoate
CID 7985171
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-methylbenzoate
CID 7382068
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
CID 4829050
[1-(cyclopentylamino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 3957199
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55307143
2-(3-acetamidoanilino)-N-cyclopentylpropanamide
CID 43083456

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The IUPAC name of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate (CID 2638280) is [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate.
What is the SMILES notation for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The canonical SMILES for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1.
What is the InChIKey of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
The InChIKey is TZAQIUNGQLGDAR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(16(21)19-14-7-3-4-8-14)23-17(22)13-6-5-9-15(10-13)18-12(2)20/h5-6,9-11,14H,3-4,7-8H2,1-2H3,(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate?
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate has a molecular weight of 318.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate is sourced from PubChem (CID 2638280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).