[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene

C25H30N4O7 — CID 170745527

IUPAC[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene
SMILESCC(=O)OCNC(=O)CNC(=O)CNC(=O)CNC=O.COCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14O.C10H16N4O6/c1-16-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;1-7(16)20-6-14-10(19)4-13-9(18)3-12-8(17)2-11-5-15/h2-9,15H,10H2,1H3;5H,2-4,6H2,1H3,(H,11,15)(H,12,17)(H,13,18)(H,14,19)
InChIKeyMLFBMYMFBAMSRI-UHFFFAOYSA-N
MW498.54 g/mol
LogP0.05
Rot. Bonds11

About [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene

[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene (PubChem CID 170745527) has the molecular formula C25H30N4O7 and a molecular weight of 498.54 g/mol. Its IUPAC name is [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene.

Molecular Properties

Compound Name[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene
PubChem CID170745527
Molecular FormulaC25H30N4O7
Molecular Weight498.54 g/mol
Exact Mass498.21
IUPAC Name[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene
SMILESCC(=O)OCNC(=O)CNC(=O)CNC(=O)CNC=O.COCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C15H14O.C10H16N4O6/c1-16-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;1-7(16)20-6-14-10(19)4-13-9(18)3-12-8(17)2-11-5-15/h2-9,15H,10H2,1H3;5H,2-4,6H2,1H3,(H,11,15)(H,12,17)(H,13,18)(H,14,19)
InChIKeyMLFBMYMFBAMSRI-UHFFFAOYSA-N
XLogP0.05
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 50.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene with MolForge

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Related Compounds

[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]acetyl]amino]methyl acetate
CID 170745511
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
prop-2-enyl (4S)-5-(acetyloxymethylamino)-4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-5-oxopentanoate
CID 171841898
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
butyl 2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]butanoate
CID 176639180
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
N-(9H-fluoren-9-ylmethyl)formamide
CID 19046662
benzyl (2S)-2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]propanoate
CID 169224942
1-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxymethyl]cyclopropane-1-carboxylic acid
CID 151028370

Frequently Asked Questions

What is the IUPAC name of [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene?
The IUPAC name of [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene (CID 170745527) is [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene.
What is the SMILES notation for [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene?
The canonical SMILES for [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene is CC(=O)OCNC(=O)CNC(=O)CNC(=O)CNC=O.COCC1c2ccccc2-c2ccccc21.
What is the InChIKey of [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene?
The InChIKey is MLFBMYMFBAMSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C10H16N4O6/c1-16-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)15;1-7(16)20-6-14-10(19)4-13-9(18)3-12-8(17)2-11-5-15/h2-9,15H,10H2,1H3;5H,2-4,6H2,1H3,(H,11,15)(H,12,17)(H,13,18)(H,14,19).
What are the key properties of [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene?
[[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene has a molecular weight of 498.54 g/mol, XLogP of 0.05, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-[[2-[(2-formamidoacetyl)amino]acetyl]amino]acetyl]amino]methyl acetate;9-(methoxymethyl)-9H-fluorene is sourced from PubChem (CID 170745527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).