tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate

C13H25N3O5 — CID 59641605

IUPACtert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O5/c1-13(2,3)21-12(18)15-20-7-4-10(14)11(17)16-5-8-19-9-6-16/h10H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyRXSIGXXBDMTVPF-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.02
Rot. Bonds5

About tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate

tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate (PubChem CID 59641605) has the molecular formula C13H25N3O5 and a molecular weight of 303.36 g/mol. Its IUPAC name is tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
PubChem CID59641605
Molecular FormulaC13H25N3O5
Molecular Weight303.36 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate
SMILESCC(C)(C)OC(=O)NOCCC(N)C(=O)N1CCOCC1
InChIInChI=1S/C13H25N3O5/c1-13(2,3)21-12(18)15-20-7-4-10(14)11(17)16-5-8-19-9-6-16/h10H,4-9,14H2,1-3H3,(H,15,18)
InChIKeyRXSIGXXBDMTVPF-UHFFFAOYSA-N
XLogP0.02
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate?
The IUPAC name of tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate (CID 59641605) is tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate is CC(C)(C)OC(=O)NOCCC(N)C(=O)N1CCOCC1.
What is the InChIKey of tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate?
The InChIKey is RXSIGXXBDMTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O5/c1-13(2,3)21-12(18)15-20-7-4-10(14)11(17)16-5-8-19-9-6-16/h10H,4-9,14H2,1-3H3,(H,15,18).
What are the key properties of tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate?
tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate has a molecular weight of 303.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-4-morpholin-4-yl-4-oxobutoxy)carbamate is sourced from PubChem (CID 59641605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).