(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

C26H25N3O6 — CID 178198439

IUPAC(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)on1
InChIInChI=1S/C26H25N3O6/c1-15-16(25(31)32)11-6-12-29(15)24(30)22-13-23(35-28-22)27-26(33)34-14-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,13,15-16,21H,6,11-12,14H2,1H3,(H,27,33)(H,31,32)/t15-,16-/m0/s1
InChIKeyANXDUZKFLUXUFH-HOTGVXAUSA-N
MW475.50 g/mol
LogP4.36
Rot. Bonds5

About (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 178198439) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID178198439
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@H]1[C@@H](C(=O)O)CCCN1C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)on1
InChIInChI=1S/C26H25N3O6/c1-15-16(25(31)32)11-6-12-29(15)24(30)22-13-23(35-28-22)27-26(33)34-14-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,13,15-16,21H,6,11-12,14H2,1H3,(H,27,33)(H,31,32)/t15-,16-/m0/s1
InChIKeyANXDUZKFLUXUFH-HOTGVXAUSA-N
XLogP4.36
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid with MolForge

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Related Compounds

(2R,3R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178192167
(2S,3S)-1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191794
(2R,3R)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178198407
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192293
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 165448778
(2S,3S)-2-methyl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 122116627
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178194942
(2S,3S)-1-[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178195679
(2S,3S)-1-[3-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]propanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191638
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192303
1-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 178195988
(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (CID 178198439) is (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is C[C@H]1[C@@H](C(=O)O)CCCN1C(=O)c1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)on1.
What is the InChIKey of (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is ANXDUZKFLUXUFH-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-15-16(25(31)32)11-6-12-29(15)24(30)22-13-23(35-28-22)27-26(33)34-14-21-19-9-4-2-7-17(19)18-8-3-5-10-20(18)21/h2-5,7-10,13,15-16,21H,6,11-12,14H2,1H3,(H,27,33)(H,31,32)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
(2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid has a molecular weight of 475.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-oxazole-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 178198439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).