9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride

C25H26Cl2N2O4 — CID 174709081

IUPAC9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1.O=C(Cl)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H18ClNO3.C5H8ClNO/c21-19(23)18-10-5-11-22(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;6-5(8)4-2-1-3-7-4/h1-4,6-9,17-18H,5,10-12H2;4,7H,1-3H2/t18-;4-/m00/s1
InChIKeyZQYIEPAQQAEKSG-HCFWXMEPSA-N
MW489.40 g/mol
LogP4.67
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride

9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride (PubChem CID 174709081) has the molecular formula C25H26Cl2N2O4 and a molecular weight of 489.40 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
PubChem CID174709081
Molecular FormulaC25H26Cl2N2O4
Molecular Weight489.40 g/mol
Exact Mass488.13
IUPAC Name9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride
SMILESO=C(Cl)[C@@H]1CCCN1.O=C(Cl)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H18ClNO3.C5H8ClNO/c21-19(23)18-10-5-11-22(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;6-5(8)4-2-1-3-7-4/h1-4,6-9,17-18H,5,10-12H2;4,7H,1-3H2/t18-;4-/m00/s1
InChIKeyZQYIEPAQQAEKSG-HCFWXMEPSA-N
XLogP4.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
2-[[(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carbonyl]-[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 134205998
9H-fluoren-9-ylmethyl (2S)-2-(2,2,2-triphenylacetyl)pyrrolidine-1-carboxylate
CID 175704806
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
4-[[(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]oxymethyl]benzoic acid
CID 10254180
9H-fluoren-9-ylmethyl (2R,3R)-2-(2-chloroprop-2-enyl)-3-hydroxypiperidine-1-carboxylate
CID 166036291
9H-fluoren-9-ylmethyl (2S)-2-[[2-(methylamino)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 59454334
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (2S,4R)-2,4-dimethylpyrrolidine-1-carboxylate
CID 58682773
9H-fluoren-9-ylmethyl (2R)-2-(2-formylphenyl)selanylcarbonylpyrrolidine-1-carboxylate
CID 140685279
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride?
The IUPAC name of 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride (CID 174709081) is 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride is O=C(Cl)[C@@H]1CCCN1.O=C(Cl)[C@@H]1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride?
The InChIKey is ZQYIEPAQQAEKSG-HCFWXMEPSA-N. The full InChI is InChI=1S/C20H18ClNO3.C5H8ClNO/c21-19(23)18-10-5-11-22(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17;6-5(8)4-2-1-3-7-4/h1-4,6-9,17-18H,5,10-12H2;4,7H,1-3H2/t18-;4-/m00/s1.
What are the key properties of 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride?
9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride has a molecular weight of 489.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (2S)-2-carbonochloridoylpyrrolidine-1-carboxylate;(2S)-pyrrolidine-2-carbonyl chloride is sourced from PubChem (CID 174709081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).