methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate

C12H17NO4 — CID 54979232

IUPACmethyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCc1ccco1
InChIInChI=1S/C12H17NO4/c1-3-13(9-12(15)16-2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyDFUHBODRZLVDRS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.23
Rot. Bonds6

About methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate

methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate (PubChem CID 54979232) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
PubChem CID54979232
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)CCc1ccco1
InChIInChI=1S/C12H17NO4/c1-3-13(9-12(15)16-2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3
InChIKeyDFUHBODRZLVDRS-UHFFFAOYSA-N
XLogP1.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 63395584
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-(furan-2-yl)propanamide
CID 78808448
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 79667566
3-(furan-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902257
methyl 3-[2-(furan-2-yl)ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 139215995
ethyl 5-(furan-2-yl)-3-oxopentanoate
CID 10846117
2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(furan-2-yl)propanamide
CID 78801443
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
6-(furan-2-yl)hexane-2,4-dione
CID 155288881

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate (CID 54979232) is methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate is CCN(CC(=O)OC)C(=O)CCc1ccco1.
What is the InChIKey of methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate?
The InChIKey is DFUHBODRZLVDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-13(9-12(15)16-2)11(14)7-6-10-5-4-8-17-10/h4-5,8H,3,6-7,9H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate?
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate is sourced from PubChem (CID 54979232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).