ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate

C20H20N2O6 — CID 134309423

IUPACethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
SMILESCCOC(=O)ONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20N2O6/c1-2-26-20(25)28-22-18(23)11-21-19(24)27-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyGHZXRRPBWNKQOT-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.73
Rot. Bonds5

About ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate

ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate (PubChem CID 134309423) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate.

Molecular Properties

Compound Nameethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
PubChem CID134309423
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Nameethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
SMILESCCOC(=O)ONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H20N2O6/c1-2-26-20(25)28-22-18(23)11-21-19(24)27-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,24)(H,22,23)
InChIKeyGHZXRRPBWNKQOT-UHFFFAOYSA-N
XLogP2.73
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
tert-butyl N-[2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]ethyl]carbamate
CID 170946250
ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
CID 101132857
benzyl (2S)-2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]propanoate
CID 169224942
9H-fluoren-9-ylmethyl N-(2-propoxyethyl)carbamate
CID 23569178
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046

Frequently Asked Questions

What is the IUPAC name of ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate?
The IUPAC name of ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate (CID 134309423) is ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate.
What is the SMILES notation for ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate?
The canonical SMILES for ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate is CCOC(=O)ONC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate?
The InChIKey is GHZXRRPBWNKQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-2-26-20(25)28-22-18(23)11-21-19(24)27-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,17H,2,11-12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate?
ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate has a molecular weight of 384.39 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate is sourced from PubChem (CID 134309423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).