cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid

C27H25N3O5 — CID 178198233

IUPACcis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25N3O5/c31-25(29-22-12-5-11-20(22)26(32)33)24-23(13-6-14-28-24)30-27(34)35-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,6-10,13-14,20-22H,5,11-12,15H2,(H,29,31)(H,30,34)(H,32,33)/t20-,22+/m0/s1
InChIKeyDKRBUCFXQBERJB-RBBKRZOGSA-N
MW471.51 g/mol
LogP4.43
Rot. Bonds6

About cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178198233) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID178198233
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC Namecis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cccnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H25N3O5/c31-25(29-22-12-5-11-20(22)26(32)33)24-23(13-6-14-28-24)30-27(34)35-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,6-10,13-14,20-22H,5,11-12,15H2,(H,29,31)(H,30,34)(H,32,33)/t20-,22+/m0/s1
InChIKeyDKRBUCFXQBERJB-RBBKRZOGSA-N
XLogP4.43
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1S,2R)-2-[[5-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-1,3-oxazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198555
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
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191853
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 165485531
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 178194080
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191918
cis-(1S,3R)-3-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1H-1,2,4-triazole-5-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178198326

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 178198233) is cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid is O=C(Nc1cccnc1C(=O)N[C@@H]1CCC[C@@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is DKRBUCFXQBERJB-RBBKRZOGSA-N. The full InChI is InChI=1S/C27H25N3O5/c31-25(29-22-12-5-11-20(22)26(32)33)24-23(13-6-14-28-24)30-27(34)35-15-21-18-9-3-1-7-16(18)17-8-2-4-10-19(17)21/h1-4,6-10,13-14,20-22H,5,11-12,15H2,(H,29,31)(H,30,34)(H,32,33)/t20-,22+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 471.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178198233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).