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

C26H30N2O6 — CID 178192915

IUPACcis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c29-16(13-24(30)28-23-12-6-5-11-21(23)25(31)32)14-27-26(33)34-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-10,16,21-23,29H,5-6,11-15H2,(H,27,33)(H,28,30)(H,31,32)/t16?,21-,23+/m1/s1
InChIKeyOGDMJXPNJURLKY-OSZJVERNSA-N
MW466.53 g/mol
LogP3.04
Rot. Bonds8

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

cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 178192915) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID178192915
Molecular FormulaC26H30N2O6
Molecular Weight466.53 g/mol
Exact Mass466.21
IUPAC Namecis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C26H30N2O6/c29-16(13-24(30)28-23-12-6-5-11-21(23)25(31)32)14-27-26(33)34-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-10,16,21-23,29H,5-6,11-15H2,(H,27,33)(H,28,30)(H,31,32)/t16?,21-,23+/m1/s1
InChIKeyOGDMJXPNJURLKY-OSZJVERNSA-N
XLogP3.04
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

cis-(1R,2S)-2-[[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]cycloheptane-1-carboxylic acid
CID 178199377
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191918
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)-4-methylpentanoyl]amino]cyclohexane-1-carboxylic acid
CID 178193645
cis-(1R,2S)-2-[3-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoylamino]cycloheptane-1-carboxylic acid
CID 178195852
2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 4712584
cis-(1R,2S)-2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178198609
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methoxypropanoyl]amino]cycloheptane-1-carboxylic acid
CID 178195858
cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178199085
cis-(1R,2S)-2-[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]butanoylamino]cycloheptane-1-carboxylic acid
CID 178195850
cis-(1S,2R)-2-[[2-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]cyclohexane-1-carboxylic acid
CID 178191904

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid (CID 178192915) is cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid is O=C(CC(O)CNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OGDMJXPNJURLKY-OSZJVERNSA-N. The full InChI is InChI=1S/C26H30N2O6/c29-16(13-24(30)28-23-12-6-5-11-21(23)25(31)32)14-27-26(33)34-15-22-19-9-3-1-7-17(19)18-8-2-4-10-20(18)22/h1-4,7-10,16,21-23,29H,5-6,11-15H2,(H,27,33)(H,28,30)(H,31,32)/t16?,21-,23+/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid?
cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 466.53 g/mol, XLogP of 3.04, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 178192915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).