tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate

C13H25N3O4 — CID 106171027

IUPACtert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC(O)C(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)20-12(19)16-9-5-4-8(6-9)15-7-10(17)11(14)18/h8-10,15,17H,4-7H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyHQIUZKQFIVKMDO-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.13
Rot. Bonds5

About tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate

tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate (PubChem CID 106171027) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
PubChem CID106171027
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Nametert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(NCC(O)C(N)=O)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)20-12(19)16-9-5-4-8(6-9)15-7-10(17)11(14)18/h8-10,15,17H,4-7H2,1-3H3,(H2,14,18)(H,16,19)
InChIKeyHQIUZKQFIVKMDO-UHFFFAOYSA-N
XLogP-0.13
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclohexyl]carbamate
CID 106171656
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893
tert-butyl N-[3-[(2-hydroxy-4,4-dimethylpentyl)amino]cyclohexyl]carbamate
CID 107151492
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[3-(2-pyrrolidin-1-ylpropylamino)cyclopentyl]carbamate
CID 103816674
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-[4-(2-ethylbutylamino)cyclohexyl]carbamate
CID 115756939
tert-butyl N-[3-[(3-amino-3-oxopropyl)amino]cyclohexyl]carbamate
CID 79458834
tert-butyl N-[(3R)-3-(2,2,2-trifluoroethylamino)cyclopentyl]carbamate;molecular hydrogen
CID 158239331
tert-butyl N-[3-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cyclopentyl]carbamate
CID 103719960
tert-butyl N-[3-(cyclohexylmethylamino)cyclopentyl]carbamate
CID 79461727
tert-butyl N-[3-(2-sulfamoylethylamino)cyclopentyl]carbamate
CID 79462833

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate (CID 106171027) is tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCC(NCC(O)C(N)=O)C1.
What is the InChIKey of tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate?
The InChIKey is HQIUZKQFIVKMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,3)20-12(19)16-9-5-4-8(6-9)15-7-10(17)11(14)18/h8-10,15,17H,4-7H2,1-3H3,(H2,14,18)(H,16,19).
What are the key properties of tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate?
tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of -0.13, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-amino-2-hydroxy-3-oxopropyl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 106171027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).