tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate

C15H29N3O3 — CID 126820899

IUPACtert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1CCC(C(N)=O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-8-5-4-6-9-18-10-7-12(11-18)13(16)19/h12H,4-11H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyLFWQHWHANVRHHV-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.49
Rot. Bonds7

About tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate

tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate (PubChem CID 126820899) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
PubChem CID126820899
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCN1CCC(C(N)=O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-8-5-4-6-9-18-10-7-12(11-18)13(16)19/h12H,4-11H2,1-3H3,(H2,16,19)(H,17,20)
InChIKeyLFWQHWHANVRHHV-UHFFFAOYSA-N
XLogP1.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[4-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]piperazin-1-yl]pentyl]carbamate
CID 68676140
tert-butyl N-[[(3R)-1-[5-(ethylcarbamoylamino)pentyl]pyrrolidin-3-yl]methyl]carbamate
CID 54146573
tert-butyl N-[2-[[N'-[4-(4-carbamoylpiperidin-1-yl)butyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate
CID 111884855
tert-butyl 3-[[N-[4-(4-carbamoylpiperidin-1-yl)butyl]-N'-methylcarbamimidoyl]amino]azetidine-1-carboxylate
CID 109465816
tert-butyl N-[4-[(2S)-2-carbamoylpyrrolidin-1-yl]butyl]carbamate
CID 54459116
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetic acid
CID 138726762
tert-butyl N-[3-(4-methylazepan-1-yl)propyl]carbamate
CID 143014602
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
ethyl 2-[1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidin-4-yl]oxyacetate
CID 138693308
1-[6-(hydroxyamino)-6-oxohexyl]pyrrolidine-3-carboxamide
CID 175801820
tert-butyl N-[3-[(2R)-2-[(2-methylpropan-2-yl)oxy]morpholin-4-yl]propyl]carbamate
CID 69195735

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate (CID 126820899) is tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCN1CCC(C(N)=O)C1.
What is the InChIKey of tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate?
The InChIKey is LFWQHWHANVRHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-8-5-4-6-9-18-10-7-12(11-18)13(16)19/h12H,4-11H2,1-3H3,(H2,16,19)(H,17,20).
What are the key properties of tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate?
tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(3-carbamoylpyrrolidin-1-yl)pentyl]carbamate is sourced from PubChem (CID 126820899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).