2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

C21H21NO4 — CID 4712584

IUPAC2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24)
InChIKeyKTLDVIJVCPIJCM-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.78
Rot. Bonds4

About 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid

2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 4712584) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
PubChem CID4712584
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24)
InChIKeyKTLDVIJVCPIJCM-UHFFFAOYSA-N
XLogP3.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178191579
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 86295180
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 178193574
2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 165485531
cis-(1S,2R)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 178199251
2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)oxane-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 165488157
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
1-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-methylpiperidine-2-carboxylic acid
CID 178194889
cis-(1S,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 178191921
9H-fluoren-9-ylmethyl N-(2-methylcyclohexyl)carbamate
CID 70659072

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid (CID 4712584) is 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KTLDVIJVCPIJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-20(24)17-10-5-11-19(17)22-21(25)26-12-18-15-8-3-1-6-13(15)14-7-2-4-9-16(14)18/h1-4,6-9,17-19H,5,10-12H2,(H,22,25)(H,23,24).
What are the key properties of 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid?
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 351.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 4712584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).