2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid

C25H28N2O6 — CID 178202462

IUPAC2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C25H28N2O6/c1-25(2,23(29)30)27(3)22(28)21-20(12-13-32-21)26-24(31)33-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,31)(H,29,30)/t20-,21+/m1/s1
InChIKeyOBRQEFAGFXHHLL-RTWAWAEBSA-N
MW452.51 g/mol
LogP3.00
Rot. Bonds6

About 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid

2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid (PubChem CID 178202462) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
PubChem CID178202462
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O
InChIInChI=1S/C25H28N2O6/c1-25(2,23(29)30)27(3)22(28)21-20(12-13-32-21)26-24(31)33-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,31)(H,29,30)/t20-,21+/m1/s1
InChIKeyOBRQEFAGFXHHLL-RTWAWAEBSA-N
XLogP3.00
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic 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]-(2-methoxyethyl)amino]acetic acid
CID 178194071
(2S)-3-(dimethylamino)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178192475
(2R,3S)-3-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]oxolane-2-carboxylic acid
CID 178193969
(2R,3S)-3-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3,3-trifluoro-2-methylpropanoyl]amino]oxolane-2-carboxylic acid
CID 178195472
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
(2R,3S)-3-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178191827
(2R,3S)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]oxolane-2-carboxylic acid
CID 178198790
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 178195988
(2S,3S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 178191364
2-[(3S,4S)-1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-4-methylpyrrolidin-3-yl]acetic acid
CID 178196197

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid (CID 178202462) is 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid is CN(C(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is OBRQEFAGFXHHLL-RTWAWAEBSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(2,23(29)30)27(3)22(28)21-20(12-13-32-21)26-24(31)33-14-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,19-21H,12-14H2,1-3H3,(H,26,31)(H,29,30)/t20-,21+/m1/s1.
What are the key properties of 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid?
2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 452.51 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 178202462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).