9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate

C22H26N2O3 — CID 25188807

IUPAC9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNC=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-3-15(2)21(12-23-14-25)24-22(26)27-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,21+/m0/s1
InChIKeyWIADGMIJGCLVEK-YCRPNKLZSA-N
MW366.46 g/mol
LogP3.69
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate (PubChem CID 25188807) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
PubChem CID25188807
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](CNC=O)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H26N2O3/c1-3-15(2)21(12-23-14-25)24-22(26)27-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,21+/m0/s1
InChIKeyWIADGMIJGCLVEK-YCRPNKLZSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9H-fluoren-9-ylmethyl N-[(1R)-2-formamido-1-phenylethyl]carbamate
CID 25187710
9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate
CID 25185203
(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992511
(2R,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoate
CID 6992514
9H-fluoren-9-ylmethyl N-[(2S)-3-methyl-1-sulfanylbutan-2-yl]carbamate
CID 135015195
9H-fluoren-9-ylmethyl N-[(2R)-pentan-2-yl]carbamate
CID 142703958
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
9H-fluoren-9-ylmethyl N-[(3S)-1-iodopent-1-en-3-yl]carbamate
CID 123810740
9H-fluoren-9-ylmethyl N-(3-hydroxy-1-oxobutan-2-yl)carbamate
CID 172641441
methyl (2S)-2-[[(2R,3S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]-3-methylbutanoate
CID 10528214
9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
CID 175503220
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate (CID 25188807) is 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate is CC[C@H](C)[C@@H](CNC=O)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate?
The InChIKey is WIADGMIJGCLVEK-YCRPNKLZSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-15(2)21(12-23-14-25)24-22(26)27-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,23,25)(H,24,26)/t15-,21+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate has a molecular weight of 366.46 g/mol, XLogP of 3.69, 8 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-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate is sourced from PubChem (CID 25188807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).