2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid

C12H15N5O4 — CID 65219644

IUPAC2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C12H15N5O4/c1-2-8(12(19)20)6-13-10(18)7-17-15-11(14-16-17)9-4-3-5-21-9/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyZNINWCRTULYEJM-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.16
Rot. Bonds7

About 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid

2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid (PubChem CID 65219644) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
PubChem CID65219644
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid
SMILESCCC(CNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C12H15N5O4/c1-2-8(12(19)20)6-13-10(18)7-17-15-11(14-16-17)9-4-3-5-21-9/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,19,20)
InChIKeyZNINWCRTULYEJM-UHFFFAOYSA-N
XLogP0.16
TPSA123.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
CID 80537343
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-pentan-3-ylacetamide
CID 39998075
N-(2-cyclopropyl-2-hydroxyethyl)-2-[5-(furan-2-yl)tetrazol-2-yl]acetamide
CID 63294953
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-(3-hydroxy-4-methoxybutyl)acetamide
CID 103876911
2-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-3-methoxypropanoic acid
CID 81084981
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 97319859
2-[5-(furan-2-yl)tetrazol-2-yl]-N-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168
3-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]propanoic acid
CID 61007120
methyl 2-[ethyl-[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]acetate
CID 61409630

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid (CID 65219644) is 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid is CCC(CNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid?
The InChIKey is ZNINWCRTULYEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-2-8(12(19)20)6-13-10(18)7-17-15-11(14-16-17)9-4-3-5-21-9/h3-5,8H,2,6-7H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid?
2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid has a molecular weight of 293.28 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 65219644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).