9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate

C24H22N2O3 — CID 25187710

IUPAC9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
SMILESO=CNC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-16-25-14-23(17-8-2-1-3-9-17)26-24(28)29-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,22-23H,14-15H2,(H,25,27)(H,26,28)/t23-/m0/s1
InChIKeyWDKMZRKUHAYIFJ-QHCPKHFHSA-N
MW386.45 g/mol
LogP4.01
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate

9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate (PubChem CID 25187710) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
PubChem CID25187710
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
SMILESO=CNC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1
InChIInChI=1S/C24H22N2O3/c27-16-25-14-23(17-8-2-1-3-9-17)26-24(28)29-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,22-23H,14-15H2,(H,25,27)(H,26,28)/t23-/m0/s1
InChIKeyWDKMZRKUHAYIFJ-QHCPKHFHSA-N
XLogP4.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]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

lithium (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 170576317
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
CID 25188807
5-(9H-fluoren-9-ylmethoxycarbonylamino)-5-phenylpentanoic acid
CID 165476001
(3S)-3-[4-(difluoromethyl)phenyl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103840536
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398
(3S)-3-(4-cyanophenyl)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 7023397
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-phenylacetyl]amino]-2-phenylacetic acid
CID 170836423
(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-phenylpropanoic acid
CID 70650161
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-methylsulfanylphenyl)propanoic acid
CID 7158628
3-[3-(difluoromethyl)phenyl]-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103841394
2,3-bis(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 5193992
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenyl-3-sulfanylpropanoic acid
CID 135021468

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate (CID 25187710) is 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate is O=CNC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate?
The InChIKey is WDKMZRKUHAYIFJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-16-25-14-23(17-8-2-1-3-9-17)26-24(28)29-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,16,22-23H,14-15H2,(H,25,27)(H,26,28)/t23-/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate has a molecular weight of 386.45 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate is sourced from PubChem (CID 25187710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).