6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid

C24H25NO4 — CID 165466142

IUPAC6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
SMILESO=C(NC1CCC2(CC1)CC2C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO4/c26-22(27)21-13-24(21)11-9-15(10-12-24)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,25,28)(H,26,27)
InChIKeyOJUPOCQPPYLVPG-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.56
Rot. Bonds4

About 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid

6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid (PubChem CID 165466142) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
PubChem CID165466142
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid
SMILESO=C(NC1CCC2(CC1)CC2C(=O)O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H25NO4/c26-22(27)21-13-24(21)11-9-15(10-12-24)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,25,28)(H,26,27)
InChIKeyOJUPOCQPPYLVPG-UHFFFAOYSA-N
XLogP4.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
5-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-5-azaspiro[2.4]heptane-7-carboxylic acid
CID 178192107
9H-fluoren-9-ylmethyl N-(oxolan-3-yl)carbamate
CID 166803824
3-aminocyclohexane-1-carboxylic acid;3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 70071243
9H-fluoren-9-ylmethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130689635
9H-fluoren-9-ylmethyl N-[4-(2-bromoacetyl)cyclohexyl]carbamate
CID 86643648
9H-fluoren-9-ylmethyl N-[(3S)-2-oxooxetan-3-yl]carbamate
CID 11130659
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
2-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.1.0]hexane-6-carboxylic acid
CID 165449157
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
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031

Frequently Asked Questions

What is the IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid (CID 165466142) is 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid is O=C(NC1CCC2(CC1)CC2C(=O)O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid?
The InChIKey is OJUPOCQPPYLVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c26-22(27)21-13-24(21)11-9-15(10-12-24)25-23(28)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,25,28)(H,26,27).
What are the key properties of 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid?
6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid has a molecular weight of 391.47 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 165466142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).