3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid

C12H15N5O4 — CID 61007120

IUPAC3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-2-16(6-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyYPYBZFMPNMEIET-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.26
Rot. Bonds7

About 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid

3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid (PubChem CID 61007120) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
PubChem CID61007120
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C12H15N5O4/c1-2-16(6-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20)
InChIKeyYPYBZFMPNMEIET-UHFFFAOYSA-N
XLogP0.26
TPSA114.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630
methyl 2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]-methylamino]acetate
CID 43431769
2-[5-(furan-2-yl)tetrazol-2-yl]-N-pentan-3-ylacetamide
CID 39998075
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
CID 65219644
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-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
3-[ethyl-[2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetyl]amino]propanoic acid
CID 61007308
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
3-[ethyl-[3-(furan-2-yl)propanoyl]amino]propanoic acid
CID 61008139

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid (CID 61007120) is 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid?
The InChIKey is YPYBZFMPNMEIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-2-16(6-5-11(19)20)10(18)8-17-14-12(13-15-17)9-4-3-7-21-9/h3-4,7H,2,5-6,8H2,1H3,(H,19,20).
What are the key properties of 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid?
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid is sourced from PubChem (CID 61007120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).