4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine

C24H29N5O5 — CID 143552679

IUPAC4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine
SMILESCCCN=C(N)N.O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC(C(=O)O)N1
InChIInChI=1S/C20H18N2O5.C4H11N3/c23-18-10-22(9-17(21-18)19(24)25)20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-2-3-7-4(5)6/h1-8,16-17H,9-11H2,(H,21,23)(H,24,25);2-3H2,1H3,(H4,5,6,7)
InChIKeyCEHVYGIRVISAFY-UHFFFAOYSA-N
MW467.53 g/mol
LogP1.49
Rot. Bonds5

About 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine

4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine (PubChem CID 143552679) has the molecular formula C24H29N5O5 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine
PubChem CID143552679
Molecular FormulaC24H29N5O5
Molecular Weight467.53 g/mol
Exact Mass467.22
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine
SMILESCCCN=C(N)N.O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC(C(=O)O)N1
InChIInChI=1S/C20H18N2O5.C4H11N3/c23-18-10-22(9-17(21-18)19(24)25)20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-2-3-7-4(5)6/h1-8,16-17H,9-11H2,(H,21,23)(H,24,25);2-3H2,1H3,(H4,5,6,7)
InChIKeyCEHVYGIRVISAFY-UHFFFAOYSA-N
XLogP1.49
TPSA160.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid
CID 166000842
9H-fluoren-9-ylmethyl (2S,5R)-5-acetyl-2-[3-(diaminomethylideneamino)propyl]-3-oxopiperazine-1-carboxylate
CID 58488874
9H-fluoren-9-ylmethyl (2R,5S)-5-acetyl-2-[3-(diaminomethylideneamino)propyl]-3-oxopiperazine-1-carboxylate
CID 58488860
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-(9H-fluoren-9-ylmethoxycarbonyl)-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 71311541
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonyl)-9-oxa-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 167724986
5-(9H-fluoren-9-ylmethoxycarbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-7-carboxylic acid
CID 165478045
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
1-(9H-fluoren-9-ylmethoxycarbonyl)-3-(methoxymethyl)azetidine-3-carboxylic acid
CID 139026343

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine (CID 143552679) is 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine is CCCN=C(N)N.O=C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC(C(=O)O)N1.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine?
The InChIKey is CEHVYGIRVISAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5.C4H11N3/c23-18-10-22(9-17(21-18)19(24)25)20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-2-3-7-4(5)6/h1-8,16-17H,9-11H2,(H,21,23)(H,24,25);2-3H2,1H3,(H4,5,6,7).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine?
4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine has a molecular weight of 467.53 g/mol, XLogP of 1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxopiperazine-2-carboxylic acid;2-propylguanidine is sourced from PubChem (CID 143552679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).