trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid

C28H34N2O5 — CID 178193520

IUPACtrans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C28H34N2O5/c1-18(26(31)30-16-19-8-2-3-9-20(19)27(32)33)14-15-29-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-7,10-13,18-20,25H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,33)/t18?,19-,20-/m1/s1
InChIKeyASTYBYNJTCZYRG-FXJNCMGBSA-N
MW478.59 g/mol
LogP4.56
Rot. Bonds9

About trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid

trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 178193520) has the molecular formula C28H34N2O5 and a molecular weight of 478.59 g/mol. Its IUPAC name is trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID178193520
Molecular FormulaC28H34N2O5
Molecular Weight478.59 g/mol
Exact Mass478.25
IUPAC Nametrans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCC[C@H]1C(=O)O
InChIInChI=1S/C28H34N2O5/c1-18(26(31)30-16-19-8-2-3-9-20(19)27(32)33)14-15-29-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-7,10-13,18-20,25H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,33)/t18?,19-,20-/m1/s1
InChIKeyASTYBYNJTCZYRG-FXJNCMGBSA-N
XLogP4.56
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-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

trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178193406
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192151
trans-(1R,2S)-2-[[[(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193503
2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178191792
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193550
cis-(1R,2S)-2-[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 178191918
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193521
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
trans-(1S,2R)-2-[[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178195541
trans-(1S,2R)-2-[[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 178195996
trans-(1R,2S)-2-[[[3-(9H-fluoren-9-ylmethoxycarbonylamino)-2,2-dimethylpropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 178192312
cis-(1R,2S)-2-[[2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-methylbutanoyl]amino]cyclohexane-1-carboxylic acid
CID 178198609

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 178193520) is trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC(CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H]1CCCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ASTYBYNJTCZYRG-FXJNCMGBSA-N. The full InChI is InChI=1S/C28H34N2O5/c1-18(26(31)30-16-19-8-2-3-9-20(19)27(32)33)14-15-29-28(34)35-17-25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)25/h4-7,10-13,18-20,25H,2-3,8-9,14-17H2,1H3,(H,29,34)(H,30,31)(H,32,33)/t18?,19-,20-/m1/s1.
What are the key properties of trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid?
trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 478.59 g/mol, XLogP of 4.56, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[[[4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 178193520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).