9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate

C25H31N3O4 — CID 159979208

IUPAC9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate
SMILESCC(C)C[C@H](CC(=O)[C@@H](N)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O
InChIInChI=1S/C25H31N3O4/c1-15(2)11-16(24(27)30)12-23(29)22(26)13-28-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,11-14,26H2,1-2H3,(H2,27,30)(H,28,31)/t16-,22+/m1/s1
InChIKeyKCDHLVBTNPURMO-ZHRRBRCNSA-N
MW437.54 g/mol
LogP2.96
Rot. Bonds10

About 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate

9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate (PubChem CID 159979208) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate
PubChem CID159979208
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate
SMILESCC(C)C[C@H](CC(=O)[C@@H](N)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O
InChIInChI=1S/C25H31N3O4/c1-15(2)11-16(24(27)30)12-23(29)22(26)13-28-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,11-14,26H2,1-2H3,(H2,27,30)(H,28,31)/t16-,22+/m1/s1
InChIKeyKCDHLVBTNPURMO-ZHRRBRCNSA-N
XLogP2.96
TPSA124.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[(3S,6R)-3-amino-6-carbamoyl-8-methyl-4-oxononyl]carbamate
CID 159106807
9H-fluoren-9-ylmethyl N-[(3S,6R)-3-amino-6-carbamoyl-8-methyl-4-oxononyl]carbamate;sulfane
CID 159441352
(3R)-3-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoyl]amino]butanoic acid
CID 165498207
9H-fluoren-9-ylmethyl N-(2-amino-5-hydroxy-3-oxopentyl)carbamate
CID 161493438
9H-fluoren-9-ylmethyl N-(3-hydroxy-2-methylpropyl)carbamate
CID 53397686
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4-methylpentanoic acid
CID 58273355
9H-fluoren-9-ylmethyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 143718810
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
9H-fluoren-9-ylmethyl N-(2-methylpropylamino)carbamate
CID 71291392
(E)-4-[[(3S)-3-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-5-methylhexanoyl]amino]-2-methylbut-2-enoic acid
CID 178193261
(3R,4R)-1-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-4-methylpentanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 178191631

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate (CID 159979208) is 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate is CC(C)C[C@H](CC(=O)[C@@H](N)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate?
The InChIKey is KCDHLVBTNPURMO-ZHRRBRCNSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-15(2)11-16(24(27)30)12-23(29)22(26)13-28-25(31)32-14-21-19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-10,15-16,21-22H,11-14,26H2,1-2H3,(H2,27,30)(H,28,31)/t16-,22+/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate?
9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate has a molecular weight of 437.54 g/mol, XLogP of 2.96, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(2S,5R)-2-amino-5-carbamoyl-7-methyl-3-oxooctyl]carbamate is sourced from PubChem (CID 159979208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).