[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone

C17H23N7O — CID 44443313

IUPAC[(3R,4R)-4-amino-1-[[4-(tetrazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESC1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC=C(C=C3)N4C=NN=N4
InChIInChI=1S/C17H23N7O/c18-16-11-22(10-15(16)17(25)23-7-1-2-8-23)9-13-3-5-14(6-4-13)24-12-19-20-21-24/h3-6,12,15-16H,1-2,7-11,18H2/t15-,16+/m1/s1
InChIKeyZMVRUCRGLAMXCW-CVEARBPZSA-N
MW341.40 g/mol
LogP0.50
Rot. Bonds4

About [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone

[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone (PubChem CID 44443313) has the molecular formula C17H23N7O and a molecular weight of 341.40 g/mol. Its IUPAC name is [(3R,4R)-4-amino-1-[[4-(tetrazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone
PubChem CID44443313
Molecular FormulaC17H23N7O
Molecular Weight341.40 g/mol
Exact Mass341.20
IUPAC Name[(3R,4R)-4-amino-1-[[4-(tetrazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESC1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC=C(C=C3)N4C=NN=N4
InChIInChI=1S/C17H23N7O/c18-16-11-22(10-15(16)17(25)23-7-1-2-8-23)9-13-3-5-14(6-4-13)24-12-19-20-21-24/h3-6,12,15-16H,1-2,7-11,18H2/t15-,16+/m1/s1
InChIKeyZMVRUCRGLAMXCW-CVEARBPZSA-N
XLogP0.50
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone?
The IUPAC name of [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone (CID 44443313) is [(3R,4R)-4-amino-1-[[4-(tetrazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone?
The canonical SMILES for [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone is C1CCN(C1)C(=O)[C@@H]2CN(C[C@@H]2N)CC3=CC=C(C=C3)N4C=NN=N4.
What is the InChIKey of [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone?
The InChIKey is ZMVRUCRGLAMXCW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23N7O/c18-16-11-22(10-15(16)17(25)23-7-1-2-8-23)9-13-3-5-14(6-4-13)24-12-19-20-21-24/h3-6,12,15-16H,1-2,7-11,18H2/t15-,16+/m1/s1.
What are the key properties of [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone?
[(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone has a molecular weight of 341.40 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-amino-1-(4-tetrazol-1-yl-benzyl)-pyrrolidin-3-yl]-pyrrolidin-1-yl-methanone is sourced from PubChem (CID 44443313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).