methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate

C12H15N5O4 — CID 61409630

IUPACmethyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-3-16(8-11(19)20-2)10(18)7-17-14-12(13-15-17)9-5-4-6-21-9/h4-6H,3,7-8H2,1-2H3
InChIKeyGQRKNHQOJIEXRB-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.05
Rot. Bonds6

About methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate

methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate (PubChem CID 61409630) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
PubChem CID61409630
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-3-16(8-11(19)20-2)10(18)7-17-14-12(13-15-17)9-5-4-6-21-9/h4-6H,3,7-8H2,1-2H3
InChIKeyGQRKNHQOJIEXRB-UHFFFAOYSA-N
XLogP-0.05
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
methyl 3-[5-(furan-2-yl)tetrazol-2-yl]butanoate
CID 54915091
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
methyl 2-[ethyl-[3-(furan-2-yl)propanoyl]amino]acetate
CID 54979232
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate (CID 61409630) is methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate?
The InChIKey is GQRKNHQOJIEXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-3-16(8-11(19)20-2)10(18)7-17-14-12(13-15-17)9-5-4-6-21-9/h4-6H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate?
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate has a molecular weight of 293.28 g/mol, XLogP of -0.05, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate is sourced from PubChem (CID 61409630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).