tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate

C34H36N2O3 — CID 10529985

IUPACtert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCC(O)c1ccccn1)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36N2O3/c1-33(2,3)39-32(38)30(21-13-22-31(37)29-20-11-12-23-35-29)36-34(24-14-5-4-6-15-24)27-18-9-7-16-25(27)26-17-8-10-19-28(26)34/h4-12,14-20,23,30-31,36-37H,13,21-22H2,1-3H3/t30-,31?/m0/s1
InChIKeyFCLHPOXOGUCOQK-FSRLHOSWSA-N
MW520.67 g/mol
LogP6.56
Rot. Bonds9

About tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate

tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate (PubChem CID 10529985) has the molecular formula C34H36N2O3 and a molecular weight of 520.67 g/mol. Its IUPAC name is tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate.

Molecular Properties

Compound Nametert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate
PubChem CID10529985
Molecular FormulaC34H36N2O3
Molecular Weight520.67 g/mol
Exact Mass520.27
IUPAC Nametert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate
SMILESCC(C)(C)OC(=O)[C@H](CCCC(O)c1ccccn1)NC1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36N2O3/c1-33(2,3)39-32(38)30(21-13-22-31(37)29-20-11-12-23-35-29)36-34(24-14-5-4-6-15-24)27-18-9-7-16-25(27)26-17-8-10-19-28(26)34/h4-12,14-20,23,30-31,36-37H,13,21-22H2,1-3H3/t30-,31?/m0/s1
InChIKeyFCLHPOXOGUCOQK-FSRLHOSWSA-N
XLogP6.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.67
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate with MolForge

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Related Compounds

(2S,4S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(9-phenylfluoren-9-yl)amino]pentanoic acid
CID 10551810
tert-butyl (2S)-6-dimethoxyphosphoryl-5-oxo-2-[(9-phenylfluoren-9-yl)amino]hexanoate
CID 10554666
tert-butyl (E,2S)-6-oxo-6-phenyl-2-[(9-phenylfluoren-9-yl)amino]hex-4-enoate
CID 10625676
ditert-butyl (2S,6R,8S)-4-oxo-6-phenyl-2,8-bis[(9-phenylfluoren-9-yl)amino]nonanedioate
CID 24939626
tert-butyl (2S,4S)-4-benzyl-5-[(3S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-[(9-phenylfluoren-9-yl)amino]butyl]-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
CID 10509959
tert-butyl 4,4-diphenyl-2-pyridin-2-ylbutanoate
CID 170554812
5-methyl-1-pyridin-2-ylhexan-1-ol
CID 83158842
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
tert-butyl (2R)-3-phenyl-2-(pyridin-2-ylamino)propanoate
CID 132549421
(6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethyl-6-[(9-phenylfluoren-9-yl)amino]heptan-3-one
CID 11489409
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
tert-butyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81402004

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate?
The IUPAC name of tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate (CID 10529985) is tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate.
What is the SMILES notation for tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate?
The canonical SMILES for tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate is CC(C)(C)OC(=O)[C@H](CCCC(O)c1ccccn1)NC1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate?
The InChIKey is FCLHPOXOGUCOQK-FSRLHOSWSA-N. The full InChI is InChI=1S/C34H36N2O3/c1-33(2,3)39-32(38)30(21-13-22-31(37)29-20-11-12-23-35-29)36-34(24-14-5-4-6-15-24)27-18-9-7-16-25(27)26-17-8-10-19-28(26)34/h4-12,14-20,23,30-31,36-37H,13,21-22H2,1-3H3/t30-,31?/m0/s1.
What are the key properties of tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate?
tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate has a molecular weight of 520.67 g/mol, XLogP of 6.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-6-hydroxy-2-[(9-phenylfluoren-9-yl)amino]-6-pyridin-2-ylhexanoate is sourced from PubChem (CID 10529985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).