tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate

C14H28N2O3 — CID 66336839

IUPACtert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
SMILESCC(NCCCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-12(13(17)19-14(2,3)4)15-6-5-7-16-8-10-18-11-9-16/h12,15H,5-11H2,1-4H3
InChIKeyIDKXNJRGHPDWBB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds6

About tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate

tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate (PubChem CID 66336839) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
PubChem CID66336839
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
SMILESCC(NCCCN1CCOCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H28N2O3/c1-12(13(17)19-14(2,3)4)15-6-5-7-16-8-10-18-11-9-16/h12,15H,5-11H2,1-4H3
InChIKeyIDKXNJRGHPDWBB-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
N-methyl-2-(3-morpholin-4-ylpropylamino)propanamide
CID 43236781
2-(3-morpholin-4-ylpropylamino)-N-propan-2-ylpropanamide
CID 43236665
2-morpholin-4-ylethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 70818235
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
CID 83038145
tert-butyl N-[2-(3-morpholin-4-ylpropylcarbamothioylamino)ethyl]carbamate
CID 84550530
tert-butyl 4-[3-(1,1-difluoropropan-2-ylamino)propyl]piperazine-1-carboxylate
CID 107243499
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
tert-butyl (2R)-2-(morpholine-4-carbonylamino)propanoate
CID 80979649
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate?
The IUPAC name of tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate (CID 66336839) is tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate.
What is the SMILES notation for tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate?
The canonical SMILES for tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate is CC(NCCCN1CCOCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate?
The InChIKey is IDKXNJRGHPDWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-12(13(17)19-14(2,3)4)15-6-5-7-16-8-10-18-11-9-16/h12,15H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate?
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate is sourced from PubChem (CID 66336839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).