5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

C22H19N3O6 — CID 165465829

IUPAC5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(C(=O)O)no1
InChIInChI=1S/C22H19N3O6/c26-20(23-10-13-9-19(21(27)28)25-31-13)11-24-22(29)30-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,23,26)(H,24,29)(H,27,28)
InChIKeyZUEUFBYPAWDCTR-UHFFFAOYSA-N
MW421.41 g/mol
LogP2.53
Rot. Bonds7

About 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 165465829) has the molecular formula C22H19N3O6 and a molecular weight of 421.41 g/mol. Its IUPAC name is 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID165465829
Molecular FormulaC22H19N3O6
Molecular Weight421.41 g/mol
Exact Mass421.13
IUPAC Name5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(C(=O)O)no1
InChIInChI=1S/C22H19N3O6/c26-20(23-10-13-9-19(21(27)28)25-31-13)11-24-22(29)30-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,23,26)(H,24,29)(H,27,28)
InChIKeyZUEUFBYPAWDCTR-UHFFFAOYSA-N
XLogP2.53
TPSA130.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]phenyl]acetic acid
CID 102122046
4-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]butanoic acid
CID 118448290
2-[[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]methoxy]acetic acid
CID 172594576
benzyl 2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetate
CID 100994235
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]propanoic acid
CID 165482688
(2R)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 162640819
dimethyl 2-[[2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanedioate
CID 141226367
3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]benzoic acid
CID 174634562
2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]-3-phenylpropanoic acid
CID 14259874
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
2-(9H-fluoren-9-ylmethoxycarbonylamino)acetate
CID 6921612
9H-fluoren-9-ylmethyl N-[2-(octadecylamino)-2-oxoethyl]carbamate
CID 102308355

Frequently Asked Questions

What is the IUPAC name of 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid (CID 165465829) is 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCc1cc(C(=O)O)no1.
What is the InChIKey of 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is ZUEUFBYPAWDCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O6/c26-20(23-10-13-9-19(21(27)28)25-31-13)11-24-22(29)30-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-9,18H,10-12H2,(H,23,26)(H,24,29)(H,27,28).
What are the key properties of 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 421.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 165465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).