2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid

C25H28N2O7 — CID 178194071

IUPAC2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H28N2O7/c1-32-13-11-27(14-22(28)29)24(30)23-21(10-12-33-23)26-25(31)34-15-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-21,23H,10-15H2,1H3,(H,26,31)(H,28,29)/t21-,23+/m1/s1
InChIKeyMGFLTJTXLQFBGJ-GGAORHGYSA-N
MW468.51 g/mol
LogP2.24
Rot. Bonds9

About 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid

2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid (PubChem CID 178194071) has the molecular formula C25H28N2O7 and a molecular weight of 468.51 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid
PubChem CID178194071
Molecular FormulaC25H28N2O7
Molecular Weight468.51 g/mol
Exact Mass468.19
IUPAC Name2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H28N2O7/c1-32-13-11-27(14-22(28)29)24(30)23-21(10-12-33-23)26-25(31)34-15-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-21,23H,10-15H2,1H3,(H,26,31)(H,28,29)/t21-,23+/m1/s1
InChIKeyMGFLTJTXLQFBGJ-GGAORHGYSA-N
XLogP2.24
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid
CID 178199211
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
CID 178202462
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-propylamino]acetic acid
CID 178198194
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-(2-hydroxyethyl)amino]acetic acid
CID 178196151
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-(2-methylsulfanylethyl)amino]acetic acid
CID 178199257
2-[ethyl-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]acetic acid
CID 178195865
cyclohexanamine;2-[9H-fluoren-9-ylmethoxycarbonyl(2-methoxyethyl)amino]acetic acid
CID 171935119
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
(3R)-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]pentanoic acid
CID 178196476
3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195467
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid
CID 178202405

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid (CID 178194071) is 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid?
The InChIKey is MGFLTJTXLQFBGJ-GGAORHGYSA-N. The full InChI is InChI=1S/C25H28N2O7/c1-32-13-11-27(14-22(28)29)24(30)23-21(10-12-33-23)26-25(31)34-15-20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20/h2-9,20-21,23H,10-15H2,1H3,(H,26,31)(H,28,29)/t21-,23+/m1/s1.
What are the key properties of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid?
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid has a molecular weight of 468.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 178194071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).