tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate

C18H34N2O4 — CID 52947269

IUPACtert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCCCO)C(=O)NC1CCCC1
InChIInChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)20-15(12-6-4-5-9-13-21)16(22)19-14-10-7-8-11-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyFAEKNHGJJLXASS-HNNXBMFYSA-N
MW342.48 g/mol
LogP2.88
Rot. Bonds9

About tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate

tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate (PubChem CID 52947269) has the molecular formula C18H34N2O4 and a molecular weight of 342.48 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate
PubChem CID52947269
Molecular FormulaC18H34N2O4
Molecular Weight342.48 g/mol
Exact Mass342.25
IUPAC Nametert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCCCO)C(=O)NC1CCCC1
InChIInChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)20-15(12-6-4-5-9-13-21)16(22)19-14-10-7-8-11-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1
InChIKeyFAEKNHGJJLXASS-HNNXBMFYSA-N
XLogP2.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate (CID 52947269) is tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCCCCCO)C(=O)NC1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate?
The InChIKey is FAEKNHGJJLXASS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H34N2O4/c1-18(2,3)24-17(23)20-15(12-6-4-5-9-13-21)16(22)19-14-10-7-8-11-14/h14-15,21H,4-13H2,1-3H3,(H,19,22)(H,20,23)/t15-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate has a molecular weight of 342.48 g/mol, XLogP of 2.88, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(cyclopentylamino)-8-hydroxy-1-oxooctan-2-yl]carbamate is sourced from PubChem (CID 52947269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).