(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid

C26H28N2O5 — CID 165447074

IUPAC(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)CCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H28N2O5/c1-16-14-17(23(29)30)10-13-28(16)24(31)26(11-12-26)27-25(32)33-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,32)(H,29,30)/t16-,17-/m1/s1
InChIKeyBXCGLKVUJMOFKO-IAGOWNOFSA-N
MW448.52 g/mol
LogP3.77
Rot. Bonds5

About (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid

(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 165447074) has the molecular formula C26H28N2O5 and a molecular weight of 448.52 g/mol. Its IUPAC name is (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID165447074
Molecular FormulaC26H28N2O5
Molecular Weight448.52 g/mol
Exact Mass448.20
IUPAC Name(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)O)CCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C26H28N2O5/c1-16-14-17(23(29)30)10-13-28(16)24(31)26(11-12-26)27-25(32)33-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,32)(H,29,30)/t16-,17-/m1/s1
InChIKeyBXCGLKVUJMOFKO-IAGOWNOFSA-N
XLogP3.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid with MolForge

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Related Compounds

(2R,4R)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178199308
(2R,4R)-1-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178191895
(2R,4R)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192954
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178193121
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192014
(2S,4S)-1-[3-cyclopropyl-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178196728
(2R,4R)-1-[(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxybutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178202924
(2S,4S)-1-[(2S)-3-(dimethylamino)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178199187
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192017
(2R,4R)-1-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178193658
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 178192303
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid (CID 165447074) is (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid is C[C@@H]1C[C@H](C(=O)O)CCN1C(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BXCGLKVUJMOFKO-IAGOWNOFSA-N. The full InChI is InChI=1S/C26H28N2O5/c1-16-14-17(23(29)30)10-13-28(16)24(31)26(11-12-26)27-25(32)33-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-9,16-17,22H,10-15H2,1H3,(H,27,32)(H,29,30)/t16-,17-/m1/s1.
What are the key properties of (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid?
(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 448.52 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 165447074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).