tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate

C17H32N2O4 — CID 52950031

IUPACtert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCCO)C(=O)NC1CCCC1
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(22)19-14(11-5-4-8-12-20)15(21)18-13-9-6-7-10-13/h13-14,20H,4-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyIJAAKSFTLOWIGO-AWEZNQCLSA-N
MW328.45 g/mol
LogP2.49
Rot. Bonds8

About tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate

tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate (PubChem CID 52950031) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate
PubChem CID52950031
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCCCCO)C(=O)NC1CCCC1
InChIInChI=1S/C17H32N2O4/c1-17(2,3)23-16(22)19-14(11-5-4-8-12-20)15(21)18-13-9-6-7-10-13/h13-14,20H,4-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1
InChIKeyIJAAKSFTLOWIGO-AWEZNQCLSA-N
XLogP2.49
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 52.49
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)-7-hydroxy-1-oxoheptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate (CID 52950031) is tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCCCCO)C(=O)NC1CCCC1.
What is the InChIKey of tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate?
The InChIKey is IJAAKSFTLOWIGO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-17(2,3)23-16(22)19-14(11-5-4-8-12-20)15(21)18-13-9-6-7-10-13/h13-14,20H,4-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(cyclopentylamino)-7-hydroxy-1-oxoheptan-2-yl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 2.49, 8 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)-7-hydroxy-1-oxoheptan-2-yl]carbamate is sourced from PubChem (CID 52950031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).