9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride

C21H24ClN3O3 — CID 69216384

IUPAC9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.NCC(=O)N[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H23N3O3.ClH/c22-11-20(25)23-14-9-10-24(12-14)21(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19H,9-13,22H2,(H,23,25);1H/t14-;/m1./s1
InChIKeyRTIGOYMKXLDPDL-PFEQFJNWSA-N
MW401.89 g/mol
LogP2.51
Rot. Bonds4

About 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride

9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride (PubChem CID 69216384) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
PubChem CID69216384
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride
SMILESCl.NCC(=O)N[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C21H23N3O3.ClH/c22-11-20(25)23-14-9-10-24(12-14)21(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19H,9-13,22H2,(H,23,25);1H/t14-;/m1./s1
InChIKeyRTIGOYMKXLDPDL-PFEQFJNWSA-N
XLogP2.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl (3R)-3-(cyclopropylamino)piperidine-1-carboxylate
CID 170555045
9H-fluoren-9-ylmethyl N-(1-propanoylpyrrolidin-3-yl)carbamate
CID 71079728
9H-fluoren-9-ylmethyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 124585179
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
2-amino-N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]acetamide;hydrochloride
CID 119339216
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
9H-fluoren-9-ylmethyl (4aR,7aS)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 178202530
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-carbonochloridoylpiperidine-1-carboxylate
CID 86647451
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride?
The IUPAC name of 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride (CID 69216384) is 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride?
The canonical SMILES for 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride is Cl.NCC(=O)N[C@@H]1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride?
The InChIKey is RTIGOYMKXLDPDL-PFEQFJNWSA-N. The full InChI is InChI=1S/C21H23N3O3.ClH/c22-11-20(25)23-14-9-10-24(12-14)21(26)27-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19;/h1-8,14,19H,9-13,22H2,(H,23,25);1H/t14-;/m1./s1.
What are the key properties of 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride?
9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride has a molecular weight of 401.89 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (3R)-3-[(2-aminoacetyl)amino]pyrrolidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 69216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).