4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid

C12H15N5O4 — CID 80537343

IUPAC4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C12H15N5O4/c1-8(12(19)20)4-5-13-10(18)7-17-15-11(14-16-17)9-3-2-6-21-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,18)(H,19,20)
InChIKeySHABSDHVAPMWAG-UHFFFAOYSA-N
MW293.28 g/mol
LogP0.16
Rot. Bonds7

About 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid

4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid (PubChem CID 80537343) has the molecular formula C12H15N5O4 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
PubChem CID80537343
Molecular FormulaC12H15N5O4
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC Name4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid
SMILESCC(CCNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O
InChIInChI=1S/C12H15N5O4/c1-8(12(19)20)4-5-13-10(18)7-17-15-11(14-16-17)9-3-2-6-21-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,18)(H,19,20)
InChIKeySHABSDHVAPMWAG-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

Analyze 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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]methyl]butanoic acid
CID 65219644
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103771124
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-(2-hydroxy-2-methylpropyl)acetamide
CID 65110497
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-pentan-3-ylacetamide
CID 39998075
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981
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-[(1-hydroxycyclobutyl)methyl]acetamide
CID 115643437
2-[5-(furan-2-yl)tetrazol-2-yl]-N-(4-methylphenyl)acetamide
CID 43845168

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid?
The IUPAC name of 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid (CID 80537343) is 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid is CC(CCNC(=O)Cn1nnc(-c2ccco2)n1)C(=O)O.
What is the InChIKey of 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid?
The InChIKey is SHABSDHVAPMWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O4/c1-8(12(19)20)4-5-13-10(18)7-17-15-11(14-16-17)9-3-2-6-21-9/h2-3,6,8H,4-5,7H2,1H3,(H,13,18)(H,19,20).
What are the key properties of 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid?
4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic 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 4-[[2-[5-(furan-2-yl)tetrazol-2-yl]acetyl]amino]-2-methylbutanoic acid is sourced from PubChem (CID 80537343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).