tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate

C15H29N3O3 — CID 115677358

IUPACtert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
SMILESCC(CC(N)=O)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-10(8-13(16)19)18-12-7-5-6-11(12)9-17-14(20)21-15(2,3)4/h10-12,18H,5-9H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyQTWNNPWYHNOLBJ-UHFFFAOYSA-N
MW299.41 g/mol
LogP1.53
Rot. Bonds6

About tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate

tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate (PubChem CID 115677358) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
PubChem CID115677358
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Nametert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate
SMILESCC(CC(N)=O)NC1CCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29N3O3/c1-10(8-13(16)19)18-12-7-5-6-11(12)9-17-14(20)21-15(2,3)4/h10-12,18H,5-9H2,1-4H3,(H2,16,19)(H,17,20)
InChIKeyQTWNNPWYHNOLBJ-UHFFFAOYSA-N
XLogP1.53
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103695804
tert-butyl N-[[2-(1,1-difluoropropan-2-ylamino)cyclopentyl]methyl]carbamate
CID 107251475
tert-butyl N-[[2-(1-pyrrolidin-2-ylpropan-2-ylamino)cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-(1-cyclohexylethylamino)cyclopentyl]methyl]carbamate
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methyl 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]amino]pentanoate
CID 113242246
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
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tert-butyl N-[[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]cyclopentyl]methyl]carbamate
CID 113242256
tert-butyl N-[[2-(2,2-difluoroethylamino)cyclopentyl]methyl]carbamate
CID 115406072
tert-butyl N-[[2-[(1-hydroxy-4-methylpentan-2-yl)amino]cyclohexyl]methyl]carbamate
CID 103695449
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[2-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate (CID 115677358) is tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate is CC(CC(N)=O)NC1CCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate?
The InChIKey is QTWNNPWYHNOLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-10(8-13(16)19)18-12-7-5-6-11(12)9-17-14(20)21-15(2,3)4/h10-12,18H,5-9H2,1-4H3,(H2,16,19)(H,17,20).
What are the key properties of tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate has a molecular weight of 299.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(4-amino-4-oxobutan-2-yl)amino]cyclopentyl]methyl]carbamate is sourced from PubChem (CID 115677358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).