2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

C17H14NO4- — CID 6921612

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESO=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)/p-1
InChIKeyNDKDFTQNXLHCGO-UHFFFAOYSA-M
MW296.30 g/mol
LogP1.27
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate

2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (PubChem CID 6921612) has the molecular formula C17H14NO4- and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
PubChem CID6921612
Molecular FormulaC17H14NO4-
Molecular Weight296.30 g/mol
Exact Mass296.09
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
SMILESO=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)/p-1
InChIKeyNDKDFTQNXLHCGO-UHFFFAOYSA-M
XLogP1.27
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
CID 7005107
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
9H-fluoren-9-ylmethyl N-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 167387335
3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-iminopropanoic acid
CID 163894219
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
sodium 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylate
CID 69129851
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
9H-fluoren-9-ylmethyl N-[2-(cycloheptylamino)-2-oxoethyl]carbamate
CID 170794400
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 174634562
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethylamino]acetic acid;hydrochloride
CID 18356260
ethyl [[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino] carbonate
CID 134309423

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate (CID 6921612) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is O=C([O-])CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
The InChIKey is NDKDFTQNXLHCGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15NO4/c19-16(20)9-18-17(21)22-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15H,9-10H2,(H,18,21)(H,19,20)/p-1.
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate?
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate has a molecular weight of 296.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate is sourced from PubChem (CID 6921612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).