5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid

C25H24N4O6 — CID 178191736

IUPAC5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24N4O6/c1-29-21(12-20(28-29)24(31)32)27-23(30)22-19(10-11-34-22)26-25(33)35-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12,18-19,22H,10-11,13H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t19-,22+/m1/s1
InChIKeyAJILZGVMRSABKG-KNQAVFIVSA-N
MW476.49 g/mol
LogP2.75
Rot. Bonds6

About 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid

5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid (PubChem CID 178191736) has the molecular formula C25H24N4O6 and a molecular weight of 476.49 g/mol. Its IUPAC name is 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
PubChem CID178191736
Molecular FormulaC25H24N4O6
Molecular Weight476.49 g/mol
Exact Mass476.17
IUPAC Name5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H24N4O6/c1-29-21(12-20(28-29)24(31)32)27-23(30)22-19(10-11-34-22)26-25(33)35-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12,18-19,22H,10-11,13H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t19-,22+/m1/s1
InChIKeyAJILZGVMRSABKG-KNQAVFIVSA-N
XLogP2.75
TPSA131.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid with MolForge

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Related Compounds

3-cyclopropyl-3-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195467
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
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 178196331
(2S,3S)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-3-methylpentanoic acid
CID 178191364
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 178195988
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 178195889
2-[1-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclopropyl]acetic acid
CID 178195834
(2S)-3-(dimethylamino)-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178192475
3-cyclopropyl-2-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]propanoic acid
CID 178195807
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192293
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 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid (CID 178191736) is 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1NC(=O)[C@H]1OCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is AJILZGVMRSABKG-KNQAVFIVSA-N. The full InChI is InChI=1S/C25H24N4O6/c1-29-21(12-20(28-29)24(31)32)27-23(30)22-19(10-11-34-22)26-25(33)35-13-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,12,18-19,22H,10-11,13H2,1H3,(H,26,33)(H,27,30)(H,31,32)/t19-,22+/m1/s1.
What are the key properties of 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid?
5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 476.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 178191736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).