methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

C27H28N2O2 — CID 21341463

IUPACmethyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(CCN)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-31-26(30)25-17-19(15-16-28)18-29(25)27(20-9-3-2-4-10-20)23-13-7-5-11-21(23)22-12-6-8-14-24(22)27/h2-14,19,25H,15-18,28H2,1H3/t19?,25-/m0/s1
InChIKeyNSXZLUHTKQEOEZ-BIAFCPFJSA-N
MW412.53 g/mol
LogP4.17
Rot. Bonds5

About methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate

methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (PubChem CID 21341463) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
PubChem CID21341463
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Namemethyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(CCN)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C27H28N2O2/c1-31-26(30)25-17-19(15-16-28)18-29(25)27(20-9-3-2-4-10-20)23-13-7-5-11-21(23)22-12-6-8-14-24(22)27/h2-14,19,25H,15-18,28H2,1H3/t19?,25-/m0/s1
InChIKeyNSXZLUHTKQEOEZ-BIAFCPFJSA-N
XLogP4.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate (CID 21341463) is methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC(CCN)CN1C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
The InChIKey is NSXZLUHTKQEOEZ-BIAFCPFJSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-31-26(30)25-17-19(15-16-28)18-29(25)27(20-9-3-2-4-10-20)23-13-7-5-11-21(23)22-12-6-8-14-24(22)27/h2-14,19,25H,15-18,28H2,1H3/t19?,25-/m0/s1.
What are the key properties of methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate?
methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate has a molecular weight of 412.53 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-(2-aminoethyl)-1-(9-phenylfluoren-9-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 21341463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).