methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate

C13H19NO4 — CID 54942114

IUPACmethyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C13H19NO4/c1-8(2)14(7-12(15)17-5)13(16)11-6-9(3)18-10(11)4/h6,8H,7H2,1-5H3
InChIKeyLFCMYINIPSDKKT-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.92
Rot. Bonds4

About methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate

methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 54942114) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID54942114
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate
SMILESCOC(=O)CN(C(=O)c1cc(C)oc1C)C(C)C
InChIInChI=1S/C13H19NO4/c1-8(2)14(7-12(15)17-5)13(16)11-6-9(3)18-10(11)4/h6,8H,7H2,1-5H3
InChIKeyLFCMYINIPSDKKT-UHFFFAOYSA-N
XLogP1.92
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-2,5-dimethyl-N-propan-2-ylfuran-3-carboxamide
CID 80666211
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
CID 60779527
methyl 2-[(2-hydroxy-5-methoxybenzoyl)-propan-2-ylamino]acetate
CID 60779348
2,5-dimethyl-N-[3-oxo-3-(propylamino)propyl]-N-propan-2-ylfuran-3-carboxamide
CID 4153616
methyl 3-(2,5-dimethylfuran-3-yl)-3-oxopropanoate
CID 79679462
methyl 2-[(2-bromofuran-3-carbonyl)-propan-2-ylamino]acetate
CID 106853479
methyl 2-[(5-amino-2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 107184293
2,5-dimethyl-N,N-bis(2-methylpropyl)furan-3-carboxamide
CID 86978108
methyl 2-[(5-chloro-2-iodobenzoyl)-propan-2-ylamino]acetate
CID 113223737
2-[[2-methyl-5-(methylsulfamoyl)furan-3-carbonyl]-propan-2-ylamino]acetic acid
CID 120518391
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate (CID 54942114) is methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate is COC(=O)CN(C(=O)c1cc(C)oc1C)C(C)C.
What is the InChIKey of methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is LFCMYINIPSDKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8(2)14(7-12(15)17-5)13(16)11-6-9(3)18-10(11)4/h6,8H,7H2,1-5H3.
What are the key properties of methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate?
methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 253.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,5-dimethylfuran-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 54942114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).