9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

C35H37N3O7 — CID 70828037

IUPAC9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCO[C@@H]1CC(C(=O)NCC(=O)OCc2ccccc2)N(C(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C35H37N3O7/c1-43-24-18-31(33(40)36-19-32(39)44-21-23-10-3-2-4-11-23)38(20-24)34(41)30-16-9-17-37(30)35(42)45-22-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-8,10-15,24,29-31H,9,16-22H2,1H3,(H,36,40)/t24-,30?,31?/m1/s1
InChIKeyFUQPPOOUZIAVSZ-XCZXHRDVSA-N
MW611.70 g/mol
LogP3.88
Rot. Bonds9

About 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate

9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 70828037) has the molecular formula C35H37N3O7 and a molecular weight of 611.70 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID70828037
Molecular FormulaC35H37N3O7
Molecular Weight611.70 g/mol
Exact Mass611.26
IUPAC Name9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate
SMILESCO[C@@H]1CC(C(=O)NCC(=O)OCc2ccccc2)N(C(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C35H37N3O7/c1-43-24-18-31(33(40)36-19-32(39)44-21-23-10-3-2-4-11-23)38(20-24)34(41)30-16-9-17-37(30)35(42)45-22-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-8,10-15,24,29-31H,9,16-22H2,1H3,(H,36,40)/t24-,30?,31?/m1/s1
InChIKeyFUQPPOOUZIAVSZ-XCZXHRDVSA-N
XLogP3.88
TPSA114.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.70
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,4R)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
CID 175753630
(2S)-1-[(2S,4S)-1-[(2S)-1-[(2S,4S)-1-[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]-4-(phenylmethoxycarbonylamino)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 171598189
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 13118734
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
methyl (2S)-1-[(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 12859190
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
CID 146080993
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S,4R)-4-carbonochloridoyloxypyrrolidine-1,2-dicarboxylate
CID 10906114
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate (CID 70828037) is 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is CO[C@@H]1CC(C(=O)NCC(=O)OCc2ccccc2)N(C(=O)C2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is FUQPPOOUZIAVSZ-XCZXHRDVSA-N. The full InChI is InChI=1S/C35H37N3O7/c1-43-24-18-31(33(40)36-19-32(39)44-21-23-10-3-2-4-11-23)38(20-24)34(41)30-16-9-17-37(30)35(42)45-22-29-27-14-7-5-12-25(27)26-13-6-8-15-28(26)29/h2-8,10-15,24,29-31H,9,16-22H2,1H3,(H,36,40)/t24-,30?,31?/m1/s1.
What are the key properties of 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate?
9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 611.70 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-[(4R)-4-methoxy-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 70828037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).