9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate

C28H28N2O3 — CID 158442176

IUPAC9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate
SMILESO=C(CN(Cc1ccccc1)C(=O)N1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H28N2O3/c31-27(19-30(18-21-10-2-1-3-11-21)28(32)29-16-8-9-17-29)33-20-26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-7,10-15,26H,8-9,16-20H2
InChIKeyVRJMWRBBGCBGQR-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.06
Rot. Bonds6

About 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate

9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate (PubChem CID 158442176) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate
PubChem CID158442176
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate
SMILESO=C(CN(Cc1ccccc1)C(=O)N1CCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H28N2O3/c31-27(19-30(18-21-10-2-1-3-11-21)28(32)29-16-8-9-17-29)33-20-26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-7,10-15,26H,8-9,16-20H2
InChIKeyVRJMWRBBGCBGQR-UHFFFAOYSA-N
XLogP5.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
ethyl 2-[benzyl-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylpentanoyl]amino]acetate
CID 69351608
N-(3-aminopropyl)-N-benzylazepane-1-carboxamide
CID 107366335
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
2-[benzyl(9H-fluoren-9-ylmethoxycarbonyl)amino]propanoic acid
CID 78063599
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
3-[benzyl-[(1R,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]amino]propanoic acid
CID 165460082
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-(sulfanylmethyl)butanoic acid
CID 157199768
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate?
The IUPAC name of 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate (CID 158442176) is 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate is O=C(CN(Cc1ccccc1)C(=O)N1CCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate?
The InChIKey is VRJMWRBBGCBGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c31-27(19-30(18-21-10-2-1-3-11-21)28(32)29-16-8-9-17-29)33-20-26-24-14-6-4-12-22(24)23-13-5-7-15-25(23)26/h1-7,10-15,26H,8-9,16-20H2.
What are the key properties of 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate?
9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate has a molecular weight of 440.54 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 2-[benzyl(pyrrolidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 158442176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).