tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate

C11H23NO3 — CID 66337597

IUPACtert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
SMILESCC(NCC(C)(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(12-7-11(5,6)14)9(13)15-10(2,3)4/h8,12,14H,7H2,1-6H3
InChIKeyCESFNXJXPCDHBM-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.08
Rot. Bonds4

About tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate

tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate (PubChem CID 66337597) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
PubChem CID66337597
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate
SMILESCC(NCC(C)(C)O)C(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-8(12-7-11(5,6)14)9(13)15-10(2,3)4/h8,12,14H,7H2,1-6H3
InChIKeyCESFNXJXPCDHBM-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2,2,3-trimethylbutylamino)propanoate
CID 102670947
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 2-[[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 64687542
tert-butyl 2-(pent-3-ynylamino)propanoate
CID 116643809
tert-butyl 2-(3-methylsulfanylpropylamino)propanoate
CID 64687943
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 2-[(4-ethylcyclohexyl)methylamino]propanoate
CID 66338686
tert-butyl 2-[(1-ethylcyclopropyl)methylamino]propanoate
CID 103734836
tert-butyl 2-[(4-ethylphenyl)methylamino]propanoate
CID 70950358
tert-butyl 2-[(1-hydroxycycloheptyl)methylamino]propanoate
CID 66338142

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate?
The IUPAC name of tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate (CID 66337597) is tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate.
What is the SMILES notation for tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate?
The canonical SMILES for tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate is CC(NCC(C)(C)O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate?
The InChIKey is CESFNXJXPCDHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-8(12-7-11(5,6)14)9(13)15-10(2,3)4/h8,12,14H,7H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate?
tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate has a molecular weight of 217.31 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-hydroxy-2-methylpropyl)amino]propanoate is sourced from PubChem (CID 66337597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).