methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate

C11H14BrNO4 — CID 106853479

IUPACmethyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccoc1Br)C(C)C
InChIInChI=1S/C11H14BrNO4/c1-7(2)13(6-9(14)16-3)11(15)8-4-5-17-10(8)12/h4-5,7H,6H2,1-3H3
InChIKeyFZOPVCIKAPYRDQ-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.07
Rot. Bonds4

About methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 106853479) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID106853479
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Namemethyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1ccoc1Br)C(C)C
InChIInChI=1S/C11H14BrNO4/c1-7(2)13(6-9(14)16-3)11(15)8-4-5-17-10(8)12/h4-5,7H,6H2,1-3H3
InChIKeyFZOPVCIKAPYRDQ-UHFFFAOYSA-N
XLogP2.07
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(2-bromofuran-3-carbonyl)-ethylamino]acetate
CID 106853790
N-benzyl-2-bromo-N-propan-2-ylfuran-3-carboxamide
CID 106852447
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
CID 54942114
2-[(2-methylfuran-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832013
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
CID 60779527
methyl 2-[(2,6-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 55005992
methyl 2-[(4-chlorobenzoyl)-propan-2-ylamino]acetate
CID 54941937
methyl 2-[(4-bromo-3-fluorobenzoyl)-propan-2-ylamino]acetate
CID 55133439
methyl 2-[(5-chloro-2-iodobenzoyl)-propan-2-ylamino]acetate
CID 113223737
methyl 2-[propan-2-yl-[2-(propylamino)benzoyl]amino]acetate
CID 63108124
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate (CID 106853479) is methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1ccoc1Br)C(C)C.
What is the InChIKey of methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is FZOPVCIKAPYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-7(2)13(6-9(14)16-3)11(15)8-4-5-17-10(8)12/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 304.14 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 106853479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).