cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate

C19H26N2O3 — CID 69185769

IUPACcyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
SMILESNC(CCC(=O)OC1CCCCC1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H26N2O3/c20-17(10-11-18(22)24-16-8-2-1-3-9-16)19(23)21-12-14-6-4-5-7-15(14)13-21/h4-7,16-17H,1-3,8-13,20H2
InChIKeyPWACEGFQPIRARW-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.51
Rot. Bonds5

About cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate

cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate (PubChem CID 69185769) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate.

Molecular Properties

Compound Namecyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
PubChem CID69185769
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Namecyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate
SMILESNC(CCC(=O)OC1CCCCC1)C(=O)N1Cc2ccccc2C1
InChIInChI=1S/C19H26N2O3/c20-17(10-11-18(22)24-16-8-2-1-3-9-16)19(23)21-12-14-6-4-5-7-15(14)13-21/h4-7,16-17H,1-3,8-13,20H2
InChIKeyPWACEGFQPIRARW-UHFFFAOYSA-N
XLogP2.51
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate 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-O-benzyl 5-O-cyclohexyl 2-aminopentanedioate
CID 75982869
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
2-amino-1-(1,3-dihydroisoindol-2-yl)-4-methoxybutan-1-one
CID 62476291
cyclododecyl 4-phenylbutanoate
CID 23159480
cyclooctyl (2S)-2-amino-3-phenylpropanoate
CID 155077382
cyclodecyl (2S)-2-amino-3-phenylpropanoate
CID 166650895
cyclopentyl 3-(2-aminophenoxy)propanoate
CID 61310999
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 62230153
1-O-cyclopentyl 4-O-(2-fluorophenyl) butanedioate
CID 91705018
cyclopentyl 3-[10-(3-cyclopentyloxy-3-oxopropoxy)anthracen-9-yl]oxypropanoate
CID 155659985
(2R)-2-amino-1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylbutan-1-one
CID 69254235

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate?
The IUPAC name of cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate (CID 69185769) is cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate.
What is the SMILES notation for cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate?
The canonical SMILES for cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate is NC(CCC(=O)OC1CCCCC1)C(=O)N1Cc2ccccc2C1.
What is the InChIKey of cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate?
The InChIKey is PWACEGFQPIRARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c20-17(10-11-18(22)24-16-8-2-1-3-9-16)19(23)21-12-14-6-4-5-7-15(14)13-21/h4-7,16-17H,1-3,8-13,20H2.
What are the key properties of cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate?
cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate has a molecular weight of 330.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-amino-5-(1,3-dihydroisoindol-2-yl)-5-oxopentanoate is sourced from PubChem (CID 69185769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).