(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid

C27H30N2O5 — CID 178196433

IUPAC(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O5/c30-25(29-15-6-5-14-24(29)26(31)32)21-12-7-13-23(21)28-27(33)34-16-22-19-10-3-1-8-17(19)18-9-2-4-11-20(18)22/h1-4,8-11,21-24H,5-7,12-16H2,(H,28,33)(H,31,32)/t21-,23+,24-/m0/s1
InChIKeyRBJKEXRUPVSZTL-QTJGBDASSA-N
MW462.55 g/mol
LogP4.16
Rot. Bonds5

About (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid

(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 178196433) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
PubChem CID178196433
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(N[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H30N2O5/c30-25(29-15-6-5-14-24(29)26(31)32)21-12-7-13-23(21)28-27(33)34-16-22-19-10-3-1-8-17(19)18-9-2-4-11-20(18)22/h1-4,8-11,21-24H,5-7,12-16H2,(H,28,33)(H,31,32)/t21-,23+,24-/m0/s1
InChIKeyRBJKEXRUPVSZTL-QTJGBDASSA-N
XLogP4.16
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-methylpiperidine-2-carboxylic acid
CID 178194889
(2R,4R)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 178191907
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid;cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 127239806
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptane-1-carboxylic acid
CID 91758019
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]pyrrolidine-3-carboxylic acid
CID 178199270
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 86295180
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
benzyl (2S)-1-[2-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]pyrrolidine-2-carboxylate
CID 70078151
2-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-2-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 178198979

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid (CID 178196433) is (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid is O=C(N[C@@H]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is RBJKEXRUPVSZTL-QTJGBDASSA-N. The full InChI is InChI=1S/C27H30N2O5/c30-25(29-15-6-5-14-24(29)26(31)32)21-12-7-13-23(21)28-27(33)34-16-22-19-10-3-1-8-17(19)18-9-2-4-11-20(18)22/h1-4,8-11,21-24H,5-7,12-16H2,(H,28,33)(H,31,32)/t21-,23+,24-/m0/s1.
What are the key properties of (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid?
(2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 462.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 178196433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).