tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate

C11H21NO2 — CID 164673305

IUPACtert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate
SMILESC=C[C@@H](CC)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(7-2)12-8-10(13)14-11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-/m0/s1
InChIKeySSCHCMGKUAYTNF-VIFPVBQESA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate

tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate (PubChem CID 164673305) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate
PubChem CID164673305
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate
SMILESC=C[C@@H](CC)NCC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO2/c1-6-9(7-2)12-8-10(13)14-11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-/m0/s1
InChIKeySSCHCMGKUAYTNF-VIFPVBQESA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate?
The IUPAC name of tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate (CID 164673305) is tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate.
What is the SMILES notation for tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate?
The canonical SMILES for tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate is C=C[C@@H](CC)NCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate?
The InChIKey is SSCHCMGKUAYTNF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21NO2/c1-6-9(7-2)12-8-10(13)14-11(3,4)5/h6,9,12H,1,7-8H2,2-5H3/t9-/m0/s1.
What are the key properties of tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate?
tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[(3R)-pent-1-en-3-yl]amino]acetate is sourced from PubChem (CID 164673305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).