4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid

C27H32N2O5 — CID 165493592

IUPAC4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C27H32N2O5/c1-3-18-12-14-27(15-13-18,25(31)32)29-24(30)17(2)28-26(33)34-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23H,3,12-16H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyCUKJUCFTWCKGSJ-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.45
Rot. Bonds7

About 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid

4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid (PubChem CID 165493592) has the molecular formula C27H32N2O5 and a molecular weight of 464.56 g/mol. Its IUPAC name is 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
PubChem CID165493592
Molecular FormulaC27H32N2O5
Molecular Weight464.56 g/mol
Exact Mass464.23
IUPAC Name4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid
SMILESCCC1CCC(NC(=O)C(C)NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C27H32N2O5/c1-3-18-12-14-27(15-13-18,25(31)32)29-24(30)17(2)28-26(33)34-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23H,3,12-16H2,1-2H3,(H,28,33)(H,29,30)(H,31,32)
InChIKeyCUKJUCFTWCKGSJ-UHFFFAOYSA-N
XLogP4.45
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

1-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoyl]amino]cyclopropane-1-carboxylic acid
CID 165471606
(2S)-2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)propanoic acid;hydrate
CID 45157536
2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;hydrochloride
CID 77247911
9H-fluoren-9-ylmethyl N-[1-oxo-1-[[1-oxo-1-(3-oxobutan-2-ylamino)propan-2-yl]amino]propan-2-yl]carbamate
CID 58937812
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
(2S,3S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-3-methylpentanoic acid
CID 11729562
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 71343106
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619
9H-fluoren-9-ylmethyl N-(1-amino-1-oxopropan-2-yl)carbamate
CID 22905931
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid (CID 165493592) is 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid is CCC1CCC(NC(=O)C(C)NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CUKJUCFTWCKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O5/c1-3-18-12-14-27(15-13-18,25(31)32)29-24(30)17(2)28-26(33)34-16-23-21-10-6-4-8-19(21)20-9-5-7-11-22(20)23/h4-11,17-18,23H,3,12-16H2,1-2H3,(H,28,33)(H,29,30)(H,31,32).
What are the key properties of 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid?
4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 464.56 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 165493592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).