methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate

C26H27NO3 — CID 10834903

IUPACmethyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate
SMILESCOC(=O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C)(C)CO
InChIInChI=1S/C26H27NO3/c1-25(2,17-28)23(24(29)30-3)27-26(18-11-5-4-6-12-18)21-15-9-7-13-19(21)20-14-8-10-16-22(20)26/h4-16,23,27-28H,17H2,1-3H3/t23-/m0/s1
InChIKeyNSHCGOVXAPHFCD-QHCPKHFHSA-N
MW401.51 g/mol
LogP4.11
Rot. Bonds6

About methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate

methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate (PubChem CID 10834903) has the molecular formula C26H27NO3 and a molecular weight of 401.51 g/mol. Its IUPAC name is methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate
PubChem CID10834903
Molecular FormulaC26H27NO3
Molecular Weight401.51 g/mol
Exact Mass401.20
IUPAC Namemethyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate
SMILESCOC(=O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C)(C)CO
InChIInChI=1S/C26H27NO3/c1-25(2,17-28)23(24(29)30-3)27-26(18-11-5-4-6-12-18)21-15-9-7-13-19(21)20-14-8-10-16-22(20)26/h4-16,23,27-28H,17H2,1-3H3/t23-/m0/s1
InChIKeyNSHCGOVXAPHFCD-QHCPKHFHSA-N
XLogP4.11
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate?
The IUPAC name of methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate (CID 10834903) is methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate.
What is the SMILES notation for methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate?
The canonical SMILES for methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate is COC(=O)[C@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(C)(C)CO.
What is the InChIKey of methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate?
The InChIKey is NSHCGOVXAPHFCD-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H27NO3/c1-25(2,17-28)23(24(29)30-3)27-26(18-11-5-4-6-12-18)21-15-9-7-13-19(21)20-14-8-10-16-22(20)26/h4-16,23,27-28H,17H2,1-3H3/t23-/m0/s1.
What are the key properties of methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate?
methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate has a molecular weight of 401.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-hydroxy-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]butanoate is sourced from PubChem (CID 10834903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).