cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

C27H34N2O4 — CID 151918287

IUPACcyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESN[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC1CCCCC1
InChIInChI=1S/C27H34N2O4/c28-25(26(30)33-19-10-2-1-3-11-19)16-8-9-17-29-27(31)32-18-24-22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h4-7,12-15,19,24-25H,1-3,8-11,16-18,28H2,(H,29,31)/t25-/m0/s1
InChIKeySWFKHPJXIUXVIL-VWLOTQADSA-N
MW450.58 g/mol
LogP4.90
Rot. Bonds9

About cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate

cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (PubChem CID 151918287) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.

Molecular Properties

Compound Namecyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
PubChem CID151918287
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Namecyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
SMILESN[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC1CCCCC1
InChIInChI=1S/C27H34N2O4/c28-25(26(30)33-19-10-2-1-3-11-19)16-8-9-17-29-27(31)32-18-24-22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h4-7,12-15,19,24-25H,1-3,8-11,16-18,28H2,(H,29,31)/t25-/m0/s1
InChIKeySWFKHPJXIUXVIL-VWLOTQADSA-N
XLogP4.90
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 71250242
methyl 2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate;hydrochloride
CID 74765035
prop-2-enyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 25034093
(2S)-2-amino-5-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
CID 7019764
9H-fluoren-9-ylmethyl N-(12-aminododecyl)carbamate
CID 139208955
9H-fluoren-9-ylmethyl N-(8-hydroxyoctyl)carbamate
CID 86066146
9H-fluoren-9-ylmethyl N-(5,6-dihydroxyhexyl)carbamate
CID 22492775
9H-fluoren-9-ylmethyl N-(9-aminononyl)carbamate;hydrochloride
CID 139208949
(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylhexanoic acid
CID 90132724
9H-fluoren-9-ylmethyl N-(4,4-difluorobutyl)carbamate
CID 164675149
9H-fluoren-9-ylmethyl N-[11-[11-(9H-fluoren-9-ylmethoxycarbonylamino)undecyldisulfanyl]undecyl]carbamate
CID 139936018
[(2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoyl] (2S)-2,6-bis(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 54560651

Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The IUPAC name of cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate (CID 151918287) is cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate.
What is the SMILES notation for cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The canonical SMILES for cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is N[C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
The InChIKey is SWFKHPJXIUXVIL-VWLOTQADSA-N. The full InChI is InChI=1S/C27H34N2O4/c28-25(26(30)33-19-10-2-1-3-11-19)16-8-9-17-29-27(31)32-18-24-22-14-6-4-12-20(22)21-13-5-7-15-23(21)24/h4-7,12-15,19,24-25H,1-3,8-11,16-18,28H2,(H,29,31)/t25-/m0/s1.
What are the key properties of cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate?
cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate has a molecular weight of 450.58 g/mol, XLogP of 4.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate is sourced from PubChem (CID 151918287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).