tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate

C15H29N3O5 — CID 104855381

IUPACtert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCCOC(N)=O
InChIInChI=1S/C15H29N3O5/c1-11(17-5-7-22-13(16)19)9-12-10-21-8-6-18(12)14(20)23-15(2,3)4/h11-12,17H,5-10H2,1-4H3,(H2,16,19)
InChIKeyAPNJUQWYLDJQQO-UHFFFAOYSA-N
MW331.41 g/mol
LogP1.09
Rot. Bonds6

About tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate

tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate (PubChem CID 104855381) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
PubChem CID104855381
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC Nametert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate
SMILESCC(CC1COCCN1C(=O)OC(C)(C)C)NCCOC(N)=O
InChIInChI=1S/C15H29N3O5/c1-11(17-5-7-22-13(16)19)9-12-10-21-8-6-18(12)14(20)23-15(2,3)4/h11-12,17H,5-10H2,1-4H3,(H2,16,19)
InChIKeyAPNJUQWYLDJQQO-UHFFFAOYSA-N
XLogP1.09
TPSA103.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[2-(3-ethenoxypropylamino)propyl]morpholine-4-carboxylate
CID 104855238
tert-butyl 3-[2-[(2-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855310
tert-butyl 3-[2-[3-(dimethylamino)propylamino]propyl]morpholine-4-carboxylate
CID 104855230
tert-butyl 3-[2-(4-methylsulfanylbutylamino)propyl]morpholine-4-carboxylate
CID 104866010
tert-butyl 3-[2-[(3-hydroxy-2-methylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855309
tert-butyl 3-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]morpholine-4-carboxylate
CID 104855368
tert-butyl 3-[2-[(1-methylcyclopropyl)methylamino]propyl]morpholine-4-carboxylate
CID 104871875
tert-butyl 3-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]propyl]morpholine-4-carboxylate
CID 113479100
tert-butyl 3-[2-[(3-methyloxetan-3-yl)methylamino]propyl]morpholine-4-carboxylate
CID 104855325
2-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propan-2-ylamino]propanoic acid
CID 104855281
tert-butyl 3-[2-[2-(5-chlorothiophen-2-yl)ethylamino]propyl]morpholine-4-carboxylate
CID 113477378
tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate?
The IUPAC name of tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate (CID 104855381) is tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate?
The canonical SMILES for tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate is CC(CC1COCCN1C(=O)OC(C)(C)C)NCCOC(N)=O.
What is the InChIKey of tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate?
The InChIKey is APNJUQWYLDJQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-11(17-5-7-22-13(16)19)9-12-10-21-8-6-18(12)14(20)23-15(2,3)4/h11-12,17H,5-10H2,1-4H3,(H2,16,19).
What are the key properties of tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate?
tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate has a molecular weight of 331.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(2-carbamoyloxyethylamino)propyl]morpholine-4-carboxylate is sourced from PubChem (CID 104855381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).