tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate

C15H29N3O3 — CID 21252070

IUPACtert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCCN)C(=O)N1CCCC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-12(8-4-5-9-16)13(19)18-10-6-7-11-18/h12H,4-11,16H2,1-3H3,(H,17,20)
InChIKeyCABKSFIFNHXOFP-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.63
Rot. Bonds6

About tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate

tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate (PubChem CID 21252070) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate
PubChem CID21252070
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(CCCCN)C(=O)N1CCCC1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-12(8-4-5-9-16)13(19)18-10-6-7-11-18/h12H,4-11,16H2,1-3H3,(H,17,20)
InChIKeyCABKSFIFNHXOFP-UHFFFAOYSA-N
XLogP1.63
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.63
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-[(2S)-6-amino-1-oxo-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexan-2-yl]carbamate
CID 86596622
tert-butyl 6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 18185129
tert-butyl N-[(2S)-6-amino-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate
CID 54377950
tert-butyl (2S)-6-(15N)azanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;hydrochloride
CID 159470868
methyl (2S)-7-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate
CID 145364807
tert-butyl N-[6-amino-1-[methoxy(methyl)amino]-1-oxohexan-2-yl]carbamate
CID 85093744
tert-butyl N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]carbamate
CID 50987865
tert-butyl 4-[6-amino-2-(2,4-dimethylpentan-3-ylamino)hexanoyl]piperazine-1-carboxylate
CID 58753529
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
methyl 2-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]acetate
CID 54307119
tert-butyl N-[(2S)-3-(4-hydroxycyclohexyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 143146338
tert-butyl N-[(2R)-7-aminoheptan-2-yl]carbamate;hydrochloride
CID 167718807

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate (CID 21252070) is tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate is CC(C)(C)OC(=O)NC(CCCCN)C(=O)N1CCCC1.
What is the InChIKey of tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate?
The InChIKey is CABKSFIFNHXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)17-12(8-4-5-9-16)13(19)18-10-6-7-11-18/h12H,4-11,16H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate?
tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-amino-1-oxo-1-pyrrolidin-1-ylhexan-2-yl)carbamate is sourced from PubChem (CID 21252070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).