benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate

C20H21N3O2 — CID 89384459

IUPACbenzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
SMILESNc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C20H21N3O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12,21H2,(H,22,24)/t15-/m1/s1
InChIKeyFJLGOAOOBPSSFY-OAHLLOKOSA-N
MW335.41 g/mol
LogP3.53
Rot. Bonds3

About benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate

benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate (PubChem CID 89384459) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
PubChem CID89384459
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Namebenzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
SMILESNc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)OCc1ccccc1)CC3
InChIInChI=1S/C20H21N3O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12,21H2,(H,22,24)/t15-/m1/s1
InChIKeyFJLGOAOOBPSSFY-OAHLLOKOSA-N
XLogP3.53
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate 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

benzyl N-[(3S)-6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate
CID 129322953
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
methyl (5S)-2-amino-5-(phenylmethoxycarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 146278857
benzyl N-[(3-amino-4,5,6,7-tetrahydro-1H-indazol-5-yl)amino]carbamate
CID 174943242
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
5-(phenylmethoxycarbonylamino)-3-propan-2-yl-4,5,6,7-tetrahydroindazole-2-carboxylic acid
CID 118578727
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate (CID 89384459) is benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate is Nc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)OCc1ccccc1)CC3.
What is the InChIKey of benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
The InChIKey is FJLGOAOOBPSSFY-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O2/c21-14-6-8-18-16(10-14)17-11-15(7-9-19(17)23-18)22-20(24)25-12-13-4-2-1-3-5-13/h1-6,8,10,15,23H,7,9,11-12,21H2,(H,22,24)/t15-/m1/s1.
What are the key properties of benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate?
benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate has a molecular weight of 335.41 g/mol, XLogP of 3.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-6-amino-2,3,4,9-tetrahydro-1H-carbazol-3-yl]carbamate is sourced from PubChem (CID 89384459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).