9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride

C29H28ClN3O3 — CID 175195517

IUPAC9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
SMILESCN(N)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C29H27N3O3.ClH/c1-31(26(28(33)32(2)30)18-19-15-16-20-9-3-4-10-21(20)17-19)29(34)35-27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27;/h3-17,26-27H,18,30H2,1-2H3;1H/t26-;/m0./s1
InChIKeyAMWMEZQXXKMAOZ-SNYZSRNZSA-N
MW502.01 g/mol
LogP5.34
Rot. Bonds5

About 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride

9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride (PubChem CID 175195517) has the molecular formula C29H28ClN3O3 and a molecular weight of 502.01 g/mol. Its IUPAC name is 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
PubChem CID175195517
Molecular FormulaC29H28ClN3O3
Molecular Weight502.01 g/mol
Exact Mass501.18
IUPAC Name9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride
SMILESCN(N)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl
InChIInChI=1S/C29H27N3O3.ClH/c1-31(26(28(33)32(2)30)18-19-15-16-20-9-3-4-10-21(20)17-19)29(34)35-27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27;/h3-17,26-27H,18,30H2,1-2H3;1H/t26-;/m0./s1
InChIKeyAMWMEZQXXKMAOZ-SNYZSRNZSA-N
XLogP5.34
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.01
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride 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

(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 54171762
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
2-aminoethyl N-methyl-N-[(2R)-3-naphthalen-2-yl-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamate
CID 59081959
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 73090543
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
(2S)-2-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoic acid
CID 175971001
tert-butyl N-[(2R)-1-(1-aminoethylideneamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate
CID 59047476
tert-butyl N-methyl-N-[1-[methyl-[1-[methyl(methylsulfonyl)amino]-3-thiophen-2-ylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 20827620
2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(3-propan-2-ylphenyl)propanoic acid
CID 155695169
9H-fluoren-9-ylmethyl N-[1-(1-benzofuran-6-yl)propan-2-yl]-N-methylcarbamate
CID 166892722
(2S)-4-methyl-2-[methyl(propan-2-yl)amino]-1-naphthalen-2-ylpentan-3-one
CID 153494762
(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
CID 172529478

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride?
The IUPAC name of 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride (CID 175195517) is 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride is CN(N)C(=O)[C@H](Cc1ccc2ccccc2c1)N(C)C(=O)OC1c2ccccc2-c2ccccc21.Cl.
What is the InChIKey of 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride?
The InChIKey is AMWMEZQXXKMAOZ-SNYZSRNZSA-N. The full InChI is InChI=1S/C29H27N3O3.ClH/c1-31(26(28(33)32(2)30)18-19-15-16-20-9-3-4-10-21(20)17-19)29(34)35-27-24-13-7-5-11-22(24)23-12-6-8-14-25(23)27;/h3-17,26-27H,18,30H2,1-2H3;1H/t26-;/m0./s1.
What are the key properties of 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride?
9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride has a molecular weight of 502.01 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N-[(2S)-1-[amino(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylcarbamate;hydrochloride is sourced from PubChem (CID 175195517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).