9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate

C22H25N5O2 — CID 25185203

IUPAC9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-3-15(2)21(12-27-14-23-25-26-27)24-22(28)29-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,24,28)/t15-,21+/m0/s1
InChIKeyXWKSDKOZGOVVNQ-YCRPNKLZSA-N
MW391.48 g/mol
LogP3.63
Rot. Bonds7

About 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate (PubChem CID 25185203) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate
PubChem CID25185203
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate
SMILESCC[C@H](C)[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C22H25N5O2/c1-3-15(2)21(12-27-14-23-25-26-27)24-22(28)29-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,24,28)/t15-,21+/m0/s1
InChIKeyXWKSDKOZGOVVNQ-YCRPNKLZSA-N
XLogP3.63
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(2S)-4-methylsulfanyl-1-(tetrazol-1-yl)butan-2-yl]carbamate
CID 25188529
9H-fluoren-9-ylmethyl N-[(2S,3S)-1-formamido-3-methylpentan-2-yl]carbamate
CID 25188807
9H-fluoren-9-ylmethyl N-[2-(tetrazol-1-yl)ethyl]carbamate
CID 25188524
(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
9H-fluoren-9-ylmethyl N-[1-(3-methylbutoxy)butan-2-yl]carbamate
CID 175503220
9H-fluoren-9-ylmethyl N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 6924106
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
(3S,5S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-5-methylheptanoic acid
CID 170895498
9H-fluoren-9-ylmethyl N-hexan-3-ylcarbamate
CID 118461263

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate (CID 25185203) is 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate is CC[C@H](C)[C@@H](Cn1cnnn1)NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate?
The InChIKey is XWKSDKOZGOVVNQ-YCRPNKLZSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-3-15(2)21(12-27-14-23-25-26-27)24-22(28)29-13-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,14-15,20-21H,3,12-13H2,1-2H3,(H,24,28)/t15-,21+/m0/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate has a molecular weight of 391.48 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S,3S)-3-methyl-1-(tetrazol-1-yl)pentan-2-yl]carbamate is sourced from PubChem (CID 25185203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).