tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate

C15H29N3O3 — CID 106233893

IUPACtert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCCCC(N)=O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-12-8-7-11(10-12)17-9-5-4-6-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyADMHTGBOEVYJFX-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.68
Rot. Bonds7

About tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate (PubChem CID 106233893) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
PubChem CID106233893
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCCCCC(N)=O)C1
InChIInChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-12-8-7-11(10-12)17-9-5-4-6-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20)
InChIKeyADMHTGBOEVYJFX-UHFFFAOYSA-N
XLogP1.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.68
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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Related Compounds

tert-butyl N-[3-(pentylamino)cyclopentyl]carbamate
CID 79462575
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[3-(4,4,4-trifluorobutylamino)cyclopentyl]carbamate
CID 115516381
tert-butyl N-[3-(4-methylpentylamino)cyclopentyl]carbamate
CID 79461574
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833
tert-butyl N-[4-(3-aminopropylamino)cyclohexyl]carbamate
CID 79113684
tert-butyl N-[4-(heptylamino)cyclohexyl]carbamate
CID 103947988
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[4-(hexylamino)cyclohexyl]carbamate
CID 79113104
methyl 3-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]propanoate
CID 79462183
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
CID 106171027
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate (CID 106233893) is tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCCCCC(N)=O)C1.
What is the InChIKey of tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate?
The InChIKey is ADMHTGBOEVYJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-15(2,3)21-14(20)18-12-8-7-11(10-12)17-9-5-4-6-13(16)19/h11-12,17H,4-10H2,1-3H3,(H2,16,19)(H,18,20).
What are the key properties of tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 106233893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).