2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid

C27H32N2O6 — CID 178202405

IUPAC2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)C(=O)C[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c30-14-13-29(16-26(32)33)25(31)15-18-7-1-6-12-24(18)28-27(34)35-17-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24,30H,1,6-7,12-17H2,(H,28,34)(H,32,33)/t18-,24-/m1/s1
InChIKeyFYQKADMCAPWEFI-HOYKHHGWSA-N
MW480.56 g/mol
LogP3.38
Rot. Bonds9

About 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid

2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid (PubChem CID 178202405) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid
PubChem CID178202405
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Name2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid
SMILESO=C(O)CN(CCO)C(=O)C[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H32N2O6/c30-14-13-29(16-26(32)33)25(31)15-18-7-1-6-12-24(18)28-27(34)35-17-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24,30H,1,6-7,12-17H2,(H,28,34)(H,32,33)/t18-,24-/m1/s1
InChIKeyFYQKADMCAPWEFI-HOYKHHGWSA-N
XLogP3.38
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.56
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetic acid
CID 170899998
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-(2-hydroxyethyl)amino]acetic acid
CID 178196151
(2S)-2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]propanoic acid
CID 178199342
2-[ethyl-[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cycloheptanecarbonyl]amino]acetic acid
CID 178195865
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-propylamino]acetic acid
CID 178198194
2-[(1R,2R)-2-[[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutanecarbonyl]amino]cyclohexyl]acetic acid
CID 178198413
2-[[(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentanecarbonyl]-(2-methylsulfanylethyl)amino]acetic acid
CID 178199257
2-[[2-[(1S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentyl]acetyl]-propylamino]acetic acid
CID 178198227
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
2-[2-(dimethylamino)ethyl-[(2S,3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-2-carbonyl]amino]acetic acid
CID 178199211
(E)-4-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]amino]but-2-enoic acid
CID 178192516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid (CID 178202405) is 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid is O=C(O)CN(CCO)C(=O)C[C@H]1CCCC[C@H]1NC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid?
The InChIKey is FYQKADMCAPWEFI-HOYKHHGWSA-N. The full InChI is InChI=1S/C27H32N2O6/c30-14-13-29(16-26(32)33)25(31)15-18-7-1-6-12-24(18)28-27(34)35-17-23-21-10-4-2-8-19(21)20-9-3-5-11-22(20)23/h2-5,8-11,18,23-24,30H,1,6-7,12-17H2,(H,28,34)(H,32,33)/t18-,24-/m1/s1.
What are the key properties of 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid?
2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid has a molecular weight of 480.56 g/mol, XLogP of 3.38, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1R,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexyl]acetyl]-(2-hydroxyethyl)amino]acetic acid is sourced from PubChem (CID 178202405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).