cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

C26H26N4O5 — CID 178191853

IUPACcis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C26H26N4O5/c1-30-13-20(24(31)27-22-12-6-11-19(22)25(32)33)23(29-30)28-26(34)35-14-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,13,19,21-22H,6,11-12,14H2,1H3,(H,27,31)(H,32,33)(H,28,29,34)/t19-,22+/m1/s1
InChIKeyRKCLVRWTWXUNIQ-KNQAVFIVSA-N
MW474.52 g/mol
LogP3.76
Rot. Bonds6

About cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 178191853) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
PubChem CID178191853
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC Namecis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
SMILESCn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C26H26N4O5/c1-30-13-20(24(31)27-22-12-6-11-19(22)25(32)33)23(29-30)28-26(34)35-14-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,13,19,21-22H,6,11-12,14H2,1H3,(H,27,31)(H,32,33)(H,28,29,34)/t19-,22+/m1/s1
InChIKeyRKCLVRWTWXUNIQ-KNQAVFIVSA-N
XLogP3.76
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)pyridine-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 178198233
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-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
2-[(1,3-dimethylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 103790683
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579
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-[[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
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-methylpiperidine-2-carboxylic acid
CID 178194889
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid (CID 178191853) is cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is Cn1cc(C(=O)N[C@H]2CCC[C@H]2C(=O)O)c(NC(=O)OCC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is RKCLVRWTWXUNIQ-KNQAVFIVSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-30-13-20(24(31)27-22-12-6-11-19(22)25(32)33)23(29-30)28-26(34)35-14-21-17-9-4-2-7-15(17)16-8-3-5-10-18(16)21/h2-5,7-10,13,19,21-22H,6,11-12,14H2,1H3,(H,27,31)(H,32,33)(H,28,29,34)/t19-,22+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 474.52 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-methylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 178191853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).