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

C28H34N2O5 — CID 178193121

IUPAC(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C(=O)O)C[C@H]1C
InChIInChI=1S/C28H34N2O5/c1-4-14-28(3,26(33)30-15-13-19(25(31)32)16-18(30)2)29-27(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,29,34)(H,31,32)/t18-,19-,28?/m1/s1
InChIKeyBGVNKNFAENJSET-OHDKKKEWSA-N
MW478.59 g/mol
LogP4.80
Rot. Bonds7

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

(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 178193121) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID178193121
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Name(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C(=O)O)C[C@H]1C
InChIInChI=1S/C28H34N2O5/c1-4-14-28(3,26(33)30-15-13-19(25(31)32)16-18(30)2)29-27(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,29,34)(H,31,32)/t18-,19-,28?/m1/s1
InChIKeyBGVNKNFAENJSET-OHDKKKEWSA-N
XLogP4.80
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

(2R,4R)-1-[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]-2-methylpiperidine-4-carboxylic acid
CID 165447074
cis-(1R,2S)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 178193919
(2R,4R)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192954
(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-[5-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178193658
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid
CID 178192014
2-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]-2-methylpentanoic acid
CID 178192510
(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

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid (CID 178193121) is (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid is CCCC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC[C@@H](C(=O)O)C[C@H]1C.
What is the InChIKey of (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is BGVNKNFAENJSET-OHDKKKEWSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-4-14-28(3,26(33)30-15-13-19(25(31)32)16-18(30)2)29-27(34)35-17-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,29,34)(H,31,32)/t18-,19-,28?/m1/s1.
What are the key properties of (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid?
(2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 478.59 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpentanoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 178193121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).